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MOLECULAR FORMULA: C23H16N4O3
MOLECULAR WEIGHT: 396.39814
SMILES: C1C2=C(C(=O)N1CC3=CC=CC4=CC=CC=C43)N=C5C=C(NN5C2=O)C6=CC=CO6
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MOLECULAR FORMULA: C21H18N4O3
MOLECULAR WEIGHT: 374.39262
SMILES: C1C2=C(C(=O)N1CCCC3=CC=CC=C3)N=C4C=C(NN4C2=O)C5=CC=CO5
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Product OPENEYE NAME: (4S)-4-amino-5-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-benzyl-2-hydroxy-3-(3-hydroxyanilino)-3-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid
CAS Name: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-4-(3-hydroxyanilino)-4-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
IUPAC NAME: (4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S,3R)-3-hydroxy-4-(3-hydroxyanilino)-4-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[(2S,3R)-4-[(3-hydroxyphenyl)amino]-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C32H45N5O8
MOLECULAR WEIGHT: 627.7284
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C(=O)NC2=CC(=CC=C2)O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)N
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Product OPENEYE NAME: N-[5-[[5-[3-[3-aminopropyl(methyl)amino]propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-formamido-1-methyl-imidazole-2-carboxamide
CAS Name: N-[5-[[[5-[[3-[3-aminopropyl(methyl)amino]propylamino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-4-formamido-1-methyl-2-imidazolecarboxamide
IUPAC NAME: N-[5-[[5-[3-[3-aminopropyl(methyl)amino]propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-formamido-1-methylimidazole-2-carboxamide
SYSTEMATIC NAME: N-[5-[[5-[3-[3-azanylpropyl(methyl)amino]propylcarbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-formamido-1-methyl-imidazole-2-carboxamide
MOLECULAR FORMULA: C25H36N10O4
MOLECULAR WEIGHT: 540.61794
SMILES: CN1C=C(C=C1C(=O)NCCCN(C)CCCN)NC(=O)C2=CC(=CN2C)NC(=O)C3=NC(=CN3C)NC=O
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Product OPENEYE NAME: 2-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1-phenyl-cyclopropanecarboxamide
CAS Name: 2-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1-phenyl-1-cyclopropanecarboxamide
IUPAC NAME: 2-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1-phenylcyclopropane-1-carboxamide
SYSTEMATIC NAME: 2-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1-phenyl-cyclopropane-1-carboxamide
MOLECULAR FORMULA: C16H24N2O2
MOLECULAR WEIGHT: 276.37396
SMILES: CCN(CCOC)C(=O)C1(CC1CN)C2=CC=CC=C2
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Product OPENEYE NAME: N,N-diethyl-2-[(isobutylamino)methyl]-1-phenyl-cyclopropanecarboxamide
CAS Name: N,N-diethyl-2-[(2-methylpropylamino)methyl]-1-phenyl-1-cyclopropanecarboxamide
IUPAC NAME: N,N-diethyl-2-[(2-methylpropylamino)methyl]-1-phenylcyclopropane-1-carboxamide
SYSTEMATIC NAME: N,N-diethyl-2-[(2-methylpropylamino)methyl]-1-phenyl-cyclopropane-1-carboxamide
MOLECULAR FORMULA: C19H30N2O
MOLECULAR WEIGHT: 302.4543
SMILES: CCN(CC)C(=O)C1(CC1CNCC(C)C)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]-N,N-dimethyl-ethanamine
CAS Name: N,N-dimethyl-2-[4-[2-(phenylmethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethanamine
IUPAC NAME: 2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]-N,N-dimethylethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-[4-[2-(phenylmethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethanamine
MOLECULAR FORMULA: C24H30N2
MOLECULAR WEIGHT: 346.5084
SMILES: CN(C)CCC1=CC=C(C=C1)C2=CCC3C2CN(C3)CC4=CC=CC=C4
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Product OPENEYE NAME: 1-(4-bromophenyl)-4-(2-imino-3-methyl-benzimidazol-1-yl)butan-1-one
CAS Name: 1-(4-bromophenyl)-4-(2-imino-3-methyl-1-benzimidazolyl)-1-butanone
IUPAC NAME: 1-(4-bromophenyl)-4-(2-imino-3-methylbenzimidazol-1-yl)butan-1-one
SYSTEMATIC NAME: 4-(2-azanylidene-3-methyl-benzimidazol-1-yl)-1-(4-bromophenyl)butan-1-one
MOLECULAR FORMULA: C18H18BrN3O
MOLECULAR WEIGHT: 372.25902
SMILES: CN1C2=CC=CC=C2N(C1=N)CCCC(=O)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 3-[[(3R,4S)-3-[4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoylamino]-4-methyl-hexanoyl]amino]propanoic acid
CAS Name: 3-[[(3R,4S)-3-[[4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]-1-oxobutyl]amino]-4-methyl-1-oxohexyl]amino]propanoic acid
IUPAC NAME: 3-[[(3R,4S)-3-[4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoylamino]-4-methylhexanoyl]amino]propanoic acid
SYSTEMATIC NAME: 3-[[(3R,4S)-3-[4-[6-(4-bromophenyl)-5-ethoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]butanoylamino]-4-methyl-hexanoyl]amino]propanoic acid
MOLECULAR FORMULA: C28H39BrN4O7
MOLECULAR WEIGHT: 623.53586
SMILES: CC[C@H](C)[C@@H](CC(=O)NCCC(=O)O)NC(=O)CCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)Br)C(=O)OCC)C
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MOLECULAR FORMULA: C30H27ClFN3O4
MOLECULAR WEIGHT: 548.004483
SMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl)F)C(=O)O
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MOLECULAR FORMULA: C22H20FN3O6
MOLECULAR WEIGHT: 441.409103
SMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C(=O)C5=CC=CO5)F)C(=O)O
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Product OPENEYE NAME: (4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
CAS Name: (4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
IUPAC NAME: (4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
SYSTEMATIC NAME: (4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
MOLECULAR FORMULA: C23H21F2N3O2S
MOLECULAR WEIGHT: 441.493546
SMILES: C[C@]12CC3=C(C=C1CCN(C2)S(=O)(=O)C4=CC=C(C=C4)F)N(N=C3)C5=CC=C(C=C5)F
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Product OPENEYE NAME: 2-chloro-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CAS Name: 2-chloro-N-[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide
IUPAC NAME: 2-chloro-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
MOLECULAR FORMULA: C16H11ClN4O3S2
MOLECULAR WEIGHT: 406.86654
SMILES: C1=CC=C(C(=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-])Cl
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Product OPENEYE NAME: N-[6-(3,5-dimethylpyrazol-1-yl)-2-(2-pyridyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CAS Name: N-[6-(3,5-dimethyl-1-pyrazolyl)-2-(2-pyridinyl)-4-pyrimidinyl]-2-(4-methoxyphenyl)acetamide
IUPAC NAME: N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
SYSTEMATIC NAME: N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-yl-pyrimidin-4-yl]-2-(4-methoxyphenyl)ethanamide
MOLECULAR FORMULA: C23H22N6O2
MOLECULAR WEIGHT: 414.45978
SMILES: CC1=CC(=NN1C2=CC(=NC(=N2)C3=CC=CC=N3)NC(=O)CC4=CC=C(C=C4)OC)C
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Product OPENEYE NAME: 2-(4-methoxyphenyl)-N-[2-(2-pyridyl)-6-thiazol-2-yl-pyrimidin-4-yl]acetamide
CAS Name: 2-(4-methoxyphenyl)-N-[2-(2-pyridinyl)-6-(2-thiazolyl)-4-pyrimidinyl]acetamide
IUPAC NAME: 2-(4-methoxyphenyl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]ethanamide
MOLECULAR FORMULA: C21H17N5O2S
MOLECULAR WEIGHT: 403.45698
SMILES: COC1=CC=C(C=C1)CC(=O)NC2=NC(=NC(=C2)C3=NC=CS3)C4=CC=CC=N4
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Product OPENEYE NAME: (4aS)-1-(4-fluorophenyl)-6-(2-fluorophenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
CAS Name: (4aS)-1-(4-fluorophenyl)-6-(2-fluorophenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
IUPAC NAME: (4aS)-1-(4-fluorophenyl)-6-(2-fluorophenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
SYSTEMATIC NAME: (4aS)-1-(4-fluorophenyl)-6-(2-fluorophenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
MOLECULAR FORMULA: C23H21F2N3O2S
MOLECULAR WEIGHT: 441.493546
SMILES: C[C@]12CC3=C(C=C1CCN(C2)S(=O)(=O)C4=CC=CC=C4F)N(N=C3)C5=CC=C(C=C5)F
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Product OPENEYE NAME: (2S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CAS Name: (2S)-1-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-N-[2-(1-pyrrolyl)phenyl]-2-pyrrolidinecarboxamide
IUPAC NAME: (2S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C24H22N4O2S2
MOLECULAR WEIGHT: 462.58708
SMILES: C1C[C@H](N(C1)C(=O)CSC2=NC3=CC=CC=C3S2)C(=O)NC4=CC=CC=C4N5C=CC=C5
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