Product OPENEYE NAME: N-cyclopropyl-2,4-difluoro-5-[[5-isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
CAS Name: N-cyclopropyl-2,4-difluoro-5-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-yl-4-pyrrolo[2,1-f][1,2,4]triazinyl]amino]benzamide
IUPAC NAME: N-cyclopropyl-2,4-difluoro-5-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
SYSTEMATIC NAME: N-cyclopropyl-2,4-bis(fluoranyl)-5-[[6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-yl-pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
MOLECULAR FORMULA: C22H21F2N7O2
MOLECULAR WEIGHT: 453.444646
SMILES: CC1=NN=C(O1)C2=CN3C(=C2C(C)C)C(=NC=N3)NC4=C(C=C(C(=C4)C(=O)NC5CC5)F)F
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Product OPENEYE NAME: N-(1-methyl-4-piperidyl)-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]thiazole-4-carboxamide
CAS Name: N-(1-methyl-4-piperidinyl)-2-[[oxo-(1-oxo-7-spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]yl)methyl]amino]-4-thiazolecarboxamide
IUPAC NAME: N-(1-methylpiperidin-4-yl)-2-[(1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carbonyl)amino]-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-(1-methylpiperidin-4-yl)-2-[(1-oxidanylidenespiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-yl)carbonylamino]-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C25H28N6O3S
MOLECULAR WEIGHT: 492.59322
SMILES: CN1CCC(CC1)NC(=O)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)C=C5N4C6(CCC6)CNC5=O
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Product OPENEYE NAME: N-cyclopropyl-2,4-difluoro-5-[[5-isopropyl-6-(1,3,4-oxadiazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
CAS Name: N-cyclopropyl-2,4-difluoro-5-[[6-(1,3,4-oxadiazol-2-yl)-5-propan-2-yl-4-pyrrolo[2,1-f][1,2,4]triazinyl]amino]benzamide
IUPAC NAME: N-cyclopropyl-2,4-difluoro-5-[[6-(1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
SYSTEMATIC NAME: N-cyclopropyl-2,4-bis(fluoranyl)-5-[[6-(1,3,4-oxadiazol-2-yl)-5-propan-2-yl-pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
MOLECULAR FORMULA: C21H19F2N7O2
MOLECULAR WEIGHT: 439.418066
SMILES: CC(C)C1=C2C(=NC=NN2C=C1C3=NN=CO3)NC4=C(C=C(C(=C4)C(=O)NC5CC5)F)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C80H115N21O22
MOLECULAR WEIGHT: 1722.8966
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3C[C@H](C[C@H]3C(=O)N[C@@H](CCC(=O)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)N7CCC[C@H]7C(=O)N[C@@H](CCC
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Product OPENEYE NAME: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(5-ethyl-2-methyl-3-oxo-pyridazin-4-yl)phenyl]propanoic acid
CAS Name: (2S)-2-[[(2,6-dichlorophenyl)-oxomethyl]amino]-3-[4-(5-ethyl-2-methyl-3-oxo-4-pyridazinyl)phenyl]propanoic acid
IUPAC NAME: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(5-ethyl-2-methyl-3-oxopyridazin-4-yl)phenyl]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-[4-(5-ethyl-2-methyl-3-oxidanylidene-pyridazin-4-yl)phenyl]propanoic acid
MOLECULAR FORMULA: C23H21Cl2N3O4
MOLECULAR WEIGHT: 474.33654
SMILES: CCC1=C(C(=O)N(N=C1)C)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3=C(C=CC=C3Cl)Cl
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Product OPENEYE NAME: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-methyl-3-oxo-5-phenyl-pyridazin-4-yl)phenyl]propanoic acid
CAS Name: (2S)-2-[[(2,6-dichlorophenyl)-oxomethyl]amino]-3-[4-(2-methyl-3-oxo-5-phenyl-4-pyridazinyl)phenyl]propanoic acid
IUPAC NAME: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-methyl-3-oxo-5-phenylpyridazin-4-yl)phenyl]propanoic acid
SYSTEMATIC NAME: (2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-[4-(2-methyl-3-oxidanylidene-5-phenyl-pyridazin-4-yl)phenyl]propanoic acid
MOLECULAR FORMULA: C27H21Cl2N3O4
MOLECULAR WEIGHT: 522.37934
SMILES: CN1C(=O)C(=C(C=N1)C2=CC=CC=C2)C3=CC=C(C=C3)C[C@@H](C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl
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Product OPENEYE NAME: 8-[(benzylamino)methyl]-5,7-dihydroxy-6-methoxy-2-phenyl-chromen-4-one
CAS Name: 5,7-dihydroxy-6-methoxy-2-phenyl-8-[[(phenylmethyl)amino]methyl]-1-benzopyran-4-one
IUPAC NAME: 8-[(benzylamino)methyl]-5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one
SYSTEMATIC NAME: 6-methoxy-5,7-bis(oxidanyl)-2-phenyl-8-[[(phenylmethyl)amino]methyl]chromen-4-one
MOLECULAR FORMULA: C24H21NO5
MOLECULAR WEIGHT: 403.42724
SMILES: COC1=C(C2=C(C(=C1O)CNCC3=CC=CC=C3)OC(=CC2=O)C4=CC=CC=C4)O
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Product OPENEYE NAME: 3-[4-(phenoxymethyl)triazol-1-yl]pyridine
CAS Name: 3-[4-(phenoxymethyl)-1-triazolyl]pyridine
IUPAC NAME: 3-[4-(phenoxymethyl)triazol-1-yl]pyridine
SYSTEMATIC NAME: 3-[4-(phenoxymethyl)-1,2,3-triazol-1-yl]pyridine
MOLECULAR FORMULA: C14H12N4O
MOLECULAR WEIGHT: 252.27128
SMILES: C1=CC=C(C=C1)OCC2=CN(N=N2)C3=CN=CC=C3
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Product OPENEYE NAME: 1-(4-nitrophenyl)-4-(phenoxymethyl)triazole
CAS Name: 1-(4-nitrophenyl)-4-(phenoxymethyl)triazole
IUPAC NAME: 1-(4-nitrophenyl)-4-(phenoxymethyl)triazole
SYSTEMATIC NAME: 1-(4-nitrophenyl)-4-(phenoxymethyl)-1,2,3-triazole
MOLECULAR FORMULA: C15H12N4O3
MOLECULAR WEIGHT: 296.28078
SMILES: C1=CC=C(C=C1)OCC2=CN(N=N2)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(4-methoxyphenyl)-4-(phenoxymethyl)triazole
CAS Name: 1-(4-methoxyphenyl)-4-(phenoxymethyl)triazole
IUPAC NAME: 1-(4-methoxyphenyl)-4-(phenoxymethyl)triazole
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-4-(phenoxymethyl)-1,2,3-triazole
MOLECULAR FORMULA: C16H15N3O2
MOLECULAR WEIGHT: 281.3092
SMILES: COC1=CC=C(C=C1)N2C=C(N=N2)COC3=CC=CC=C3
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Product OPENEYE NAME: (3S,4S)-6-fluoro-3-(1-fluoro-1-methyl-ethyl)-4-(2-phenylethynyl)chromane
CAS Name: (3S,4S)-6-fluoro-3-(2-fluoropropan-2-yl)-4-(2-phenylethynyl)-3,4-dihydro-2H-1-benzopyran
IUPAC NAME: (3S,4S)-6-fluoro-3-(2-fluoropropan-2-yl)-4-(2-phenylethynyl)-3,4-dihydro-2H-chromene
SYSTEMATIC NAME: (3S,4S)-6-fluoranyl-3-(2-fluoranylpropan-2-yl)-4-(2-phenylethynyl)-3,4-dihydro-2H-chromene
MOLECULAR FORMULA: C20H18F2O
MOLECULAR WEIGHT: 312.353126
SMILES: CC(C)([C@@H]1COC2=C([C@@H]1C#CC3=CC=CC=C3)C=C(C=C2)F)F
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Product OPENEYE NAME: (2S)-2-hydroxy-3-[4-(4-methylphenoxy)-N-(4-pyridylmethylsulfonyl)anilino]propanehydroxamic acid
CAS Name: (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-(pyridin-4-ylmethylsulfonyl)anilino]propanamide
IUPAC NAME: (2S)-N,2-dihydroxy-3-[4-(4-methylphenoxy)-N-(pyridin-4-ylmethylsulfonyl)anilino]propanamide
SYSTEMATIC NAME: (2S)-3-[[4-(4-methylphenoxy)phenyl]-(pyridin-4-ylmethylsulfonyl)amino]-N,2-bis(oxidanyl)propanamide
MOLECULAR FORMULA: C22H23N3O6S
MOLECULAR WEIGHT: 457.49952
SMILES: CC1=CC=C(C=C1)OC2=CC=C(C=C2)N(C[C@@H](C(=O)NO)O)S(=O)(=O)CC3=CC=NC=C3
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Product OPENEYE NAME: 2-pyrimidin-5-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
CAS Name: 2-(5-pyrimidinyl)-4-[4-[2-(1-pyrrolidinyl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
IUPAC NAME: 2-pyrimidin-5-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SYSTEMATIC NAME: 2-pyrimidin-5-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
MOLECULAR FORMULA: C23H28N4
MOLECULAR WEIGHT: 360.49522
SMILES: C1CCN(C1)CCC2=CC=C(C=C2)C3=CCC4C3CN(C4)C5=CN=CN=C5
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Product OPENEYE NAME: 2-pyrimidin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
CAS Name: 2-(2-pyrimidinyl)-4-[4-[2-(1-pyrrolidinyl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
IUPAC NAME: 2-pyrimidin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SYSTEMATIC NAME: 2-pyrimidin-2-yl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
MOLECULAR FORMULA: C23H28N4
MOLECULAR WEIGHT: 360.49522
SMILES: C1CCN(C1)CCC2=CC=C(C=C2)C3=CCC4C3CN(C4)C5=NC=CC=N5
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Product OPENEYE NAME: 2-(2-acetyl-4-methoxy-benzimidazol-1-yl)-1-(4-bromophenyl)ethanone
CAS Name: 2-(2-acetyl-4-methoxy-1-benzimidazolyl)-1-(4-bromophenyl)ethanone
IUPAC NAME: 2-(2-acetyl-4-methoxybenzimidazol-1-yl)-1-(4-bromophenyl)ethanone
SYSTEMATIC NAME: 1-(4-bromophenyl)-2-(2-ethanoyl-4-methoxy-benzimidazol-1-yl)ethanone
MOLECULAR FORMULA: C18H15BrN2O3
MOLECULAR WEIGHT: 387.2273
SMILES: CC(=O)C1=NC2=C(N1CC(=O)C3=CC=C(C=C3)Br)C=CC=C2OC
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Product OPENEYE NAME: 4-[2-(2-acetylbenzimidazol-1-yl)acetyl]benzonitrile
CAS Name: 4-[2-(2-acetyl-1-benzimidazolyl)-1-oxoethyl]benzonitrile
IUPAC NAME: 4-[2-(2-acetylbenzimidazol-1-yl)acetyl]benzonitrile
SYSTEMATIC NAME: 4-[2-(2-ethanoylbenzimidazol-1-yl)ethanoyl]benzenecarbonitrile
MOLECULAR FORMULA: C18H13N3O2
MOLECULAR WEIGHT: 303.31472
SMILES: CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)C#N
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Product OPENEYE NAME: N-(2-hydroxy-5-phenyl-phenyl)pyridine-2-carboxamide
CAS Name: N-(2-hydroxy-5-phenylphenyl)-2-pyridinecarboxamide
IUPAC NAME: N-(2-hydroxy-5-phenylphenyl)pyridine-2-carboxamide
SYSTEMATIC NAME: N-(2-oxidanyl-5-phenyl-phenyl)pyridine-2-carboxamide
MOLECULAR FORMULA: C18H14N2O2
MOLECULAR WEIGHT: 290.31596
SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)O)NC(=O)C3=CC=CC=N3
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Product OPENEYE NAME: N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methyl]ethanamine
CAS Name: N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methyl]ethanamine
IUPAC NAME: N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methyl]ethanamine
SYSTEMATIC NAME: N-[[(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methyl]ethanamine
MOLECULAR FORMULA: C29H35FN4O2S
MOLECULAR WEIGHT: 522.677203
SMILES: CCNC[C@]12CC3=C(C=C1CCN(C2)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)N(N=C3)C5=CC=C(C=C5)F
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