Product OPENEYE NAME: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-cyclobutyl-methanone
CAS Name: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-cyclobutylmethanone
IUPAC NAME: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-1,4-diazepan-1-yl]-cyclobutylmethanone
SYSTEMATIC NAME: [4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-cyclobutyl-methanone
MOLECULAR FORMULA: C28H31ClN4O
MOLECULAR WEIGHT: 475.02494
SMILES: CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)C4CCC4)CC5=CC=C(C=C5)Cl
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Product OPENEYE NAME: N-(2,4-difluorophenyl)-4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide
CAS Name: N-(2,4-difluorophenyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinecarboxamide
IUPAC NAME: N-(2,4-difluorophenyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide
SYSTEMATIC NAME: N-[2,4-bis(fluoranyl)phenyl]-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide
MOLECULAR FORMULA: C25H27F2N5O
MOLECULAR WEIGHT: 451.511586
SMILES: CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)NC4=C(C=C(C=C4)F)F)C)C
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Product OPENEYE NAME: [3-[[(2-fluorobenzoyl)-(2-furylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CAS Name: 3-(trifluoromethyl)benzenesulfonic acid [3-[[[(2-fluorophenyl)-oxomethyl]-(2-furanylmethyl)amino]methyl]phenyl] ester
IUPAC NAME: [3-[[(2-fluorobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
SYSTEMATIC NAME: [3-[[(2-fluorophenyl)carbonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
MOLECULAR FORMULA: C26H19F4NO5S
MOLECULAR WEIGHT: 533.491373
SMILES: C1=CC=C(C(=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)CC4=CC=CO4)F
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Product OPENEYE NAME: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-2-carboxamide
CAS Name: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalenecarboxamide
IUPAC NAME: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-2-carboxamide
SYSTEMATIC NAME: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]naphthalene-2-carboxamide
MOLECULAR FORMULA: C19H12ClN3OS
MOLECULAR WEIGHT: 365.83608
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=NN=C(S3)C4=CC=CC=C4Cl
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Product OPENEYE NAME: 2-fluoro-N-[[4-(2-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide
CAS Name: 2-fluoro-N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
IUPAC NAME: 2-fluoro-N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
SYSTEMATIC NAME: 2-fluoranyl-N-[[4-(2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
MOLECULAR FORMULA: C17H15FN4O2S
MOLECULAR WEIGHT: 358.390003
SMILES: COC1=CC=CC=C1N2C(=NNC2=S)CNC(=O)C3=CC=CC=C3F
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CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: CC(=O)NCC1=C2C=CC=C3C2=C(C=C1)NC3=O
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Product OPENEYE NAME: ethyl 5-[2-hydroxy-3-(1-piperidyl)propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylate
CAS Name: 5-[2-hydroxy-3-(1-piperidinyl)propoxy]-2-methyl-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-(2-hydroxy-3-piperidin-1-ylpropoxy)-2-methyl-1-(4-methylphenyl)indole-3-carboxylate
SYSTEMATIC NAME: ethyl 2-methyl-1-(4-methylphenyl)-5-(2-oxidanyl-3-piperidin-1-yl-propoxy)indole-3-carboxylate
MOLECULAR FORMULA: C27H34N2O4
MOLECULAR WEIGHT: 450.56986
SMILES: CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3CCCCC3)O)C4=CC=C(C=C4)C)C
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Product OPENEYE NAME: 4-ethyl-5-methyl-2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)thiophene-3-carboxamide
CAS Name: 4-ethyl-5-methyl-2-[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-oxoheptyl)amino]-3-thiophenecarboxamide
IUPAC NAME: 4-ethyl-5-methyl-2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)thiophene-3-carboxamide
SYSTEMATIC NAME: 4-ethyl-5-methyl-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]thiophene-3-carboxamide
MOLECULAR FORMULA: C15H11F13N2O2S
MOLECULAR WEIGHT: 530.304282
SMILES: CCC1=C(SC(=C1C(=O)N)NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C
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Product OPENEYE NAME: ethyl 6-ethyl-2-[(3,4,5-triethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 6-ethyl-2-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 6-ethyl-2-[(3,4,5-triethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 6-ethyl-2-[(3,4,5-triethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C26H35NO6S
MOLECULAR WEIGHT: 489.6242
SMILES: CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC(=C(C(=C3)OCC)OCC)OCC
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Product OPENEYE NAME: 2-(adamantane-1-carbonylamino)-4,5-dimethyl-thiophene-3-carboxamide
CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxamide
IUPAC NAME: 2-(adamantane-1-carbonylamino)-4,5-dimethylthiophene-3-carboxamide
SYSTEMATIC NAME: 2-(1-adamantylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxamide
MOLECULAR FORMULA: C18H24N2O2S
MOLECULAR WEIGHT: 332.46036
SMILES: CC1=C(SC(=C1C(=O)N)NC(=O)C23CC4CC(C2)CC(C4)C3)C
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Product OPENEYE NAME: N-[1-(2-chlorophenyl)ethylideneamino]-4-(2,4-dichlorophenoxy)butanamide
CAS Name: N-[1-(2-chlorophenyl)ethylideneamino]-4-(2,4-dichlorophenoxy)butanamide
IUPAC NAME: N-[1-(2-chlorophenyl)ethylideneamino]-4-(2,4-dichlorophenoxy)butanamide
SYSTEMATIC NAME: 4-[2,4-bis(chloranyl)phenoxy]-N-[1-(2-chlorophenyl)ethylideneamino]butanamide
MOLECULAR FORMULA: C18H17Cl3N2O2
MOLECULAR WEIGHT: 399.69878
SMILES: CC(=NNC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl)C2=CC=CC=C2Cl
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Product OPENEYE NAME: 4-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide
CAS Name: 4-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide
IUPAC NAME: 4-chloro-N-[1-(4-propylphenyl)ethylideneamino]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[1-(4-propylphenyl)ethylideneamino]benzamide
MOLECULAR FORMULA: C18H19ClN2O
MOLECULAR WEIGHT: 314.80926
SMILES: CCCC1=CC=C(C=C1)C(=NNC(=O)C2=CC=C(C=C2)Cl)C
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Product OPENEYE NAME: methyl 6-ethyl-2-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 6-ethyl-2-[[[2-(3-methoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
IUPAC NAME: methyl 6-ethyl-2-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: methyl 6-ethyl-2-[[2-(3-methoxyphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C29H28N2O4S
MOLECULAR WEIGHT: 500.60862
SMILES: CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OC
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Product OPENEYE NAME: methyl 6-ethyl-2-[[2-(p-tolyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 6-ethyl-2-[[[2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
IUPAC NAME: methyl 6-ethyl-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: methyl 6-ethyl-2-[[2-(4-methylphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C29H28N2O3S
MOLECULAR WEIGHT: 484.60922
SMILES: CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C
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Product OPENEYE NAME: 2-(4-bromophenyl)-N-(4-ethoxy-2-nitro-phenyl)quinoline-4-carboxamide
CAS Name: 2-(4-bromophenyl)-N-(4-ethoxy-2-nitrophenyl)-4-quinolinecarboxamide
IUPAC NAME: 2-(4-bromophenyl)-N-(4-ethoxy-2-nitrophenyl)quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(4-bromophenyl)-N-(4-ethoxy-2-nitro-phenyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C24H18BrN3O4
MOLECULAR WEIGHT: 492.32142
SMILES: CCOC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(2-methyl-1-piperidyl)undecan-1-one
CAS Name: 1-(2-methyl-1-piperidinyl)-1-undecanone
IUPAC NAME: 1-(2-methylpiperidin-1-yl)undecan-1-one
SYSTEMATIC NAME: 1-(2-methylpiperidin-1-yl)undecan-1-one
MOLECULAR FORMULA: C17H33NO
MOLECULAR WEIGHT: 267.45002
SMILES: CCCCCCCCCCC(=O)N1CCCCC1C
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Product OPENEYE NAME: ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 2-[[[2-(4-methoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[2-(4-methoxyphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C28H26N2O4S
MOLECULAR WEIGHT: 486.58204
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC
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Product OPENEYE NAME: methyl 4-cyano-3-methyl-5-[(2-methyl-3-nitro-benzoyl)amino]thiophene-2-carboxylate
CAS Name: 4-cyano-3-methyl-5-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4-cyano-3-methyl-5-[(2-methyl-3-nitrobenzoyl)amino]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 4-cyano-3-methyl-5-[(2-methyl-3-nitro-phenyl)carbonylamino]thiophene-2-carboxylate
MOLECULAR FORMULA: C16H13N3O5S
MOLECULAR WEIGHT: 359.35652
SMILES: CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(C(=C(S2)C(=O)OC)C)C#N
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Product OPENEYE NAME: 6-tert-butyl-2-[3-(3-chlorophenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
CAS Name: 6-tert-butyl-2-[[3-(3-chlorophenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
IUPAC NAME: 6-tert-butyl-2-[3-(3-chlorophenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SYSTEMATIC NAME: 6-tert-butyl-2-[3-(3-chlorophenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MOLECULAR FORMULA: C22H25ClN2O2S
MOLECULAR WEIGHT: 416.9641
SMILES: CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C=CC3=CC(=CC=C3)Cl
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Product OPENEYE NAME: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 7-chloro-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate
CAS Name: 7-chloro-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 7-chloro-8-methyl-2-[4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate
SYSTEMATIC NAME: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 7-chloranyl-8-methyl-2-[4-[4-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate
MOLECULAR FORMULA: C35H28Cl2N2O5
MOLECULAR WEIGHT: 627.51322
SMILES: CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=CC(=C5C)Cl)C(=C4)C(=O)OC(C)C(=O)C6=CC(=CC=C6)Cl
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CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C33H22ClFN2O5
MOLECULAR WEIGHT: 580.989583
SMILES: C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C5=NC6=C(C=CC=C6Cl)C(=C5)C(=O)OCC(=O)C7=CC=C(C=C7)F
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Product OPENEYE NAME: N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2-oxo-ethyl]-2,2-dimethyl-propanamide
CAS Name: N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-2-oxoethyl]-2,2-dimethylpropanamide
IUPAC NAME: N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C24H33ClN4O3
MOLECULAR WEIGHT: 460.99682
SMILES: CCCCN(CC(=O)N1CCCCC1C2=NC(=NO2)C3=CC(=CC=C3)Cl)C(=O)C(C)(C)C
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Product OPENEYE NAME: 6-[3-[(4-bromophenyl)carbamoylamino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CAS Name: 6-[3-[[(4-bromoanilino)-oxomethyl]amino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
IUPAC NAME: 6-[3-[(4-bromophenyl)carbamoylamino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
SYSTEMATIC NAME: 6-[3-[(4-bromophenyl)carbamoylamino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
MOLECULAR FORMULA: C28H26BrN5O2S
MOLECULAR WEIGHT: 576.50734
SMILES: CC1=C(C(N2CCCSC2=N1)C3=CC(=CC=C3)NC(=O)NC4=CC=C(C=C4)Br)C(=O)NC5=CC=CC=C5
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Product OPENEYE NAME: [4-[[[2-(2-methoxyanilino)-2-oxo-acetyl]hydrazono]methyl]phenyl] 3-chlorobenzoate
CAS Name: 3-chlorobenzoic acid [4-[[[2-(2-methoxyanilino)-1,2-dioxoethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
SYSTEMATIC NAME: [4-[[[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethanoyl]hydrazinylidene]methyl]phenyl] 3-chloranylbenzoate
MOLECULAR FORMULA: C23H18ClN3O5
MOLECULAR WEIGHT: 451.85912
SMILES: COC1=CC=CC=C1NC(=O)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Cl
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