Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H32N2O14
MOLECULAR WEIGHT: 704.63358
SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)OC(=O)OCC6=CC=C(C=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)OC)O)O)O)O
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Product OPENEYE NAME: 3-[2-bromo-N-methyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propane-1,2-diol
CAS Name: 3-[2-bromo-N-methyl-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]propane-1,2-diol
IUPAC NAME: 3-[2-bromo-N-methyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propane-1,2-diol
SYSTEMATIC NAME: 3-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]-methyl-amino]propane-1,2-diol
MOLECULAR FORMULA: C17H18BrN5O2
MOLECULAR WEIGHT: 404.26112
SMILES: CN(CC(CO)O)C1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: [2-bromo-N-(hydroxymethyl)-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]methanol
CAS Name: [2-bromo-N-(hydroxymethyl)-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]methanol
IUPAC NAME: [2-bromo-N-(hydroxymethyl)-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]methanol
SYSTEMATIC NAME: [[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]-(hydroxymethyl)amino]methanol
MOLECULAR FORMULA: C15H14BrN5O2
MOLECULAR WEIGHT: 376.20796
SMILES: C1=CC(=C(C(=C1)Br)N(CO)CO)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: N-[(1S)-7-oxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylcarbamoyl]octyl]thiadiazole-5-carboxamide
CAS Name: N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-5-thiadiazolecarboxamide
IUPAC NAME: N-[(2S)-1,8-dioxo-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]thiadiazole-5-carboxamide
SYSTEMATIC NAME: N-[(2S)-1,8-bis(oxidanylidene)-1-[2-(2-phenyl-1H-indol-3-yl)ethylamino]nonan-2-yl]-1,2,3-thiadiazole-5-carboxamide
MOLECULAR FORMULA: C28H31N5O3S
MOLECULAR WEIGHT: 517.64244
SMILES: CC(=O)CCCCC[C@@H](C(=O)NCCC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)NC(=O)C4=CN=NS4
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Product OPENEYE NAME: (2S)-2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]-1-piperidyl]-3-phenyl-propanoic acid
CAS Name: (2S)-2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]-3-phenylpropanoic acid
IUPAC NAME: (2S)-2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C27H35ClN2O4
MOLECULAR WEIGHT: 487.0308
SMILES: C1CN(CCC1CN2CCC(CC2)OC3=CC(=C(C=C3)CO)Cl)[C@@H](CC4=CC=CC=C4)C(=O)O
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Product OPENEYE NAME: (2S)-2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]-1-piperidyl]-3-(2-pyridyl)propanoic acid
CAS Name: (2S)-2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]-3-(2-pyridinyl)propanoic acid
IUPAC NAME: (2S)-2-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-ylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]-3-pyridin-2-yl-propanoic acid
MOLECULAR FORMULA: C26H34ClN3O4
MOLECULAR WEIGHT: 488.01886
SMILES: C1CN(CCC1CN2CCC(CC2)OC3=CC(=C(C=C3)CO)Cl)[C@@H](CC4=CC=CC=N4)C(=O)O
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Product OPENEYE NAME: N-benzyl-2-(hydroxycarbamoyl)benzothiophene-6-carboxamide
CAS Name: N2-hydroxy-N6-(phenylmethyl)-1-benzothiophene-2,6-dicarboxamide
IUPAC NAME: 6-N-benzyl-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide
SYSTEMATIC NAME: N2-oxidanyl-N6-(phenylmethyl)-1-benzothiophene-2,6-dicarboxamide
MOLECULAR FORMULA: C17H14N2O3S
MOLECULAR WEIGHT: 326.36966
SMILES: C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C=C(S3)C(=O)NO
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Product OPENEYE NAME: N-benzyl-2-(hydroxycarbamoyl)benzothiophene-5-carboxamide
CAS Name: N2-hydroxy-N5-(phenylmethyl)-1-benzothiophene-2,5-dicarboxamide
IUPAC NAME: 5-N-benzyl-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide
SYSTEMATIC NAME: N2-oxidanyl-N5-(phenylmethyl)-1-benzothiophene-2,5-dicarboxamide
MOLECULAR FORMULA: C17H14N2O3S
MOLECULAR WEIGHT: 326.36966
SMILES: C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC(=C3)C(=O)NO
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Product OPENEYE NAME: 7-[(2-anilino-2-oxo-ethyl)-[2-(hydroxyamino)-2-oxo-ethyl]amino]-N-phenyl-heptanamide
CAS Name: 7-[(2-anilino-2-oxoethyl)-[2-(hydroxyamino)-2-oxoethyl]amino]-N-phenylheptanamide
IUPAC NAME: 7-[(2-anilino-2-oxoethyl)-[2-(hydroxyamino)-2-oxoethyl]amino]-N-phenylheptanamide
SYSTEMATIC NAME: 7-[[2-(oxidanylamino)-2-oxidanylidene-ethyl]-(2-oxidanylidene-2-phenylazanyl-ethyl)amino]-N-phenyl-heptanamide
MOLECULAR FORMULA: C23H30N4O4
MOLECULAR WEIGHT: 426.5087
SMILES: C1=CC=C(C=C1)NC(=O)CCCCCCN(CC(=O)NC2=CC=CC=C2)CC(=O)NO
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Product OPENEYE NAME: 2-[3-(1-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-3-yl)propyl]guanidine
CAS Name: 2-[3-[2,5-dioxo-1-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepin-3-yl]propyl]guanidine
IUPAC NAME: 2-[3-(1-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-3-yl)propyl]guanidine
SYSTEMATIC NAME: 2-[3-[2,5-bis(oxidanylidene)-1-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepin-3-yl]propyl]guanidine
MOLECULAR FORMULA: C20H23N5O2
MOLECULAR WEIGHT: 365.42892
SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)NC(C2=O)CCCN=C(N)N
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Product OPENEYE NAME: 1-benzyl-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CAS Name: 3-(1H-indol-3-ylmethyl)-1-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
IUPAC NAME: 1-benzyl-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SYSTEMATIC NAME: 3-(1H-indol-3-ylmethyl)-1-(phenylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
MOLECULAR FORMULA: C25H21N3O2
MOLECULAR WEIGHT: 395.45314
SMILES: C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)NC(C2=O)CC4=CNC5=CC=CC=C54
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Product OPENEYE NAME: 1,3-dibenzyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CAS Name: 1,3-bis(phenylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
IUPAC NAME: 1,3-dibenzyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SYSTEMATIC NAME: 1,3-bis(phenylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
MOLECULAR FORMULA: C23H20N2O2
MOLECULAR WEIGHT: 356.4171
SMILES: C1=CC=C(C=C1)CC2C(=O)N(C3=CC=CC=C3C(=O)N2)CC4=CC=CC=C4
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Product OPENEYE NAME: 3-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propane-1,2-diol
CAS Name: 3-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]propane-1,2-diol
IUPAC NAME: 3-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]propane-1,2-diol
SYSTEMATIC NAME: 3-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]propane-1,2-diol
MOLECULAR FORMULA: C16H16BrN5O2
MOLECULAR WEIGHT: 390.23454
SMILES: C1=CC(=C(C(=C1)Br)NCC(CO)O)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethanol
CAS Name: 2-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]ethanol
IUPAC NAME: 2-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethanol
SYSTEMATIC NAME: 2-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]amino]ethanol
MOLECULAR FORMULA: C15H14BrN5O
MOLECULAR WEIGHT: 360.20856
SMILES: C1=CC(=C(C(=C1)Br)NCCO)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 2-[2-bromo-N-methyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethanol
CAS Name: 2-[2-bromo-N-methyl-6-(4-pyrido[4,3-d]pyrimidinylamino)anilino]ethanol
IUPAC NAME: 2-[2-bromo-N-methyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)anilino]ethanol
SYSTEMATIC NAME: 2-[[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]-methyl-amino]ethanol
MOLECULAR FORMULA: C16H16BrN5O
MOLECULAR WEIGHT: 374.23514
SMILES: CN(CCO)C1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: N-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]acetamide
CAS Name: N-[2-bromo-6-(4-pyrido[4,3-d]pyrimidinylamino)phenyl]acetamide
IUPAC NAME: N-[2-bromo-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]acetamide
SYSTEMATIC NAME: N-[2-bromanyl-6-(pyrido[4,3-d]pyrimidin-4-ylamino)phenyl]ethanamide
MOLECULAR FORMULA: C15H12BrN5O
MOLECULAR WEIGHT: 358.19268
SMILES: CC(=O)NC1=C(C=CC=C1Br)NC2=NC=NC3=C2C=NC=C3
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Product OPENEYE NAME: 4-(4-aminobutanoylamino)-2-[3-(trifluoromethyl)anilino]benzoic acid
CAS Name: 4-[(4-amino-1-oxobutyl)amino]-2-[3-(trifluoromethyl)anilino]benzoic acid
IUPAC NAME: 4-(4-aminobutanoylamino)-2-[3-(trifluoromethyl)anilino]benzoic acid
SYSTEMATIC NAME: 4-(4-azanylbutanoylamino)-2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid
MOLECULAR FORMULA: C18H18F3N3O3
MOLECULAR WEIGHT: 381.34903
SMILES: C1=CC(=CC(=C1)NC2=C(C=CC(=C2)NC(=O)CCCN)C(=O)O)C(F)(F)F
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Product OPENEYE NAME: 2-[(8S,11S,14R,17S)-14,17-dibenzyl-11-(3-guanidinopropyl)-8-(1H-indol-3-ylmethyl)-2,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexazabicyclo[18.4.0]tetracosa-1(24),20,22-trien-6-yl]acetamide
CAS Name: 2-[(8S,11S,14R,17S)-11-[3-(diaminomethylideneamino)propyl]-8-(1H-indol-3-ylmethyl)-2,7,10,13,16,19-hexaoxo-14,17-bis(phenylmethyl)-3,6,9,12,15,18-hexazabicyclo[18.4.0]tetracosa-1(24),20,22-trien-6-yl]acetamide
IUPAC NAME: 2-[(8S,11S,14R,17S)-14,17-dibenzyl-11-[3-(diaminomethylideneamino)propyl]-8-(1H-indol-3-ylmethyl)-2,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexazabicyclo[18.4.0]tetracosa-1(24),20,22-trien-6-yl]acetamide
SYSTEMATIC NAME: 2-[(8S,11S,14R,17S)-11-[3-[bis(azanyl)methylideneamino]propyl]-8-(1H-indol-3-ylmethyl)-2,7,10,13,16,19-hexakis(oxidanylidene)-14,17-bis(phenylmethyl)-3,6,9,12,15,18-hexazabicyclo[18.4.0]tetracosa-1(24),20,22-trien-6-yl]ethanamide
MOLECULAR FORMULA: C47H53N11O7
MOLECULAR WEIGHT: 883.99322
SMILES: C1CN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C2=CC=CC=C2C(=O)N1)CC3=CC=CC=C3)CC4=CC=CC=C4)CCCN=C(N)N)CC5=CNC6=CC=CC=C65)CC(=O)N
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-8a-[3-[4-[3-[(4-nitrophenyl)methylamino]propyl]piperazin-1-yl]propylcarbamoyl]-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-8a-[[3-[4-[3-[(4-nitrophenyl)methylamino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-8a-[3-[4-[3-[(4-nitrophenyl)methylamino]propyl]piperazin-1-yl]propylcarbamoyl]-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-8a-[3-[4-[3-[(4-nitrophenyl)methylamino]propyl]piperazin-1-yl]propylcarbamoyl]-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C49H77N5O5
MOLECULAR WEIGHT: 816.16618
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCNCC7=CC=C(C=C7)[N+](=O)[O-]
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Product OPENEYE NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[(4-hydroxyphenyl)methylamino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
CAS Name: acetic acid [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[[3-[4-[3-[(4-hydroxyphenyl)methylamino]propyl]-1-piperazinyl]propylamino]-oxomethyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ester
IUPAC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[(4-hydroxyphenyl)methylamino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
SYSTEMATIC NAME: [(3S,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-[3-[4-[3-[(4-hydroxyphenyl)methylamino]propyl]piperazin-1-yl]propylcarbamoyl]-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate
MOLECULAR FORMULA: C49H78N4O4
MOLECULAR WEIGHT: 787.16802
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)NCCCN6CCN(CC6)CCCNCC7=CC=C(C=C7)O
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Product OPENEYE NAME: (4-chlorophenyl)-[3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
CAS Name: (4-chlorophenyl)-[3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
IUPAC NAME: (4-chlorophenyl)-[3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
SYSTEMATIC NAME: (4-chlorophenyl)-[3-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-9-yl]methanone
MOLECULAR FORMULA: C29H31ClN2O2
MOLECULAR WEIGHT: 475.02164
SMILES: C1CN(CCC12CCN(CC2)C(=O)C3=CC=C(C=C3)Cl)CC4=CC(=CC=C4)OC5=CC=CC=C5
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Product OPENEYE NAME: 3-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidyl]methyl]-1-piperidyl]propanenitrile
CAS Name: 3-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]-1-piperidinyl]methyl]-1-piperidinyl]propanenitrile
IUPAC NAME: 3-[4-[[4-[3-chloro-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]propanenitrile
SYSTEMATIC NAME: 3-[4-[[4-[3-chloranyl-4-(hydroxymethyl)phenoxy]piperidin-1-yl]methyl]piperidin-1-yl]propanenitrile
MOLECULAR FORMULA: C21H30ClN3O2
MOLECULAR WEIGHT: 391.9348
SMILES: C1CN(CCC1CN2CCC(CC2)OC3=CC(=C(C=C3)CO)Cl)CCC#N
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Product OPENEYE NAME: (E)-3-(2-nitrophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CAS Name: (E)-3-(2-nitrophenyl)-1-(2,4,6-trimethoxyphenyl)-2-propen-1-one
IUPAC NAME: (E)-3-(2-nitrophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(2-nitrophenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C18H17NO6
MOLECULAR WEIGHT: 343.33068
SMILES: COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])OC
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Product OPENEYE NAME: 2-(hydroxycarbamoyl)-N-phenyl-benzothiophene-5-carboxamide
CAS Name: N2-hydroxy-N5-phenyl-1-benzothiophene-2,5-dicarboxamide
IUPAC NAME: 2-N-hydroxy-5-N-phenyl-1-benzothiophene-2,5-dicarboxamide
SYSTEMATIC NAME: N2-oxidanyl-N5-phenyl-1-benzothiophene-2,5-dicarboxamide
MOLECULAR FORMULA: C16H12N2O3S
MOLECULAR WEIGHT: 312.34308
SMILES: C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SC(=C3)C(=O)NO
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