Product OPENEYE NAME: 7-[(2,6-dimethylphenyl)methylamino]-1-(2-hydroxypropyl)-N,N,2,3-tetramethyl-pyrrolo[3,2-b]pyridine-5-carboxamide
CAS Name: 7-[(2,6-dimethylphenyl)methylamino]-1-(2-hydroxypropyl)-N,N,2,3-tetramethyl-5-pyrrolo[3,2-b]pyridinecarboxamide
IUPAC NAME: 7-[(2,6-dimethylphenyl)methylamino]-1-(2-hydroxypropyl)-N,N,2,3-tetramethylpyrrolo[3,2-b]pyridine-5-carboxamide
SYSTEMATIC NAME: 7-[(2,6-dimethylphenyl)methylamino]-N,N,2,3-tetramethyl-1-(2-oxidanylpropyl)pyrrolo[3,2-b]pyridine-5-carboxamide
MOLECULAR FORMULA: C24H32N4O2
MOLECULAR WEIGHT: 408.53648
SMILES: CC1=C(C(=CC=C1)C)CNC2=CC(=NC3=C2N(C(=C3C)C)CC(C)O)C(=O)N(C)C
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Product OPENEYE NAME: (2Z)-2-[(4-ethylphenyl)methylene]-4-hydroxy-6-methoxy-benzofuran-3-one
CAS Name: (2Z)-2-[(4-ethylphenyl)methylidene]-4-hydroxy-6-methoxy-3-benzofuranone
IUPAC NAME: (2Z)-2-[(4-ethylphenyl)methylidene]-4-hydroxy-6-methoxy-1-benzofuran-3-one
SYSTEMATIC NAME: (2Z)-2-[(4-ethylphenyl)methylidene]-6-methoxy-4-oxidanyl-1-benzofuran-3-one
MOLECULAR FORMULA: C18H16O4
MOLECULAR WEIGHT: 296.31724
SMILES: CCC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(C=C(C=C3O2)OC)O
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Product OPENEYE NAME: 7-[(2,6-dimethylphenyl)methylamino]-N,N,1,2,3-pentamethyl-pyrrolo[3,2-b]pyridine-5-carboxamide
CAS Name: 7-[(2,6-dimethylphenyl)methylamino]-N,N,1,2,3-pentamethyl-5-pyrrolo[3,2-b]pyridinecarboxamide
IUPAC NAME: 7-[(2,6-dimethylphenyl)methylamino]-N,N,1,2,3-pentamethylpyrrolo[3,2-b]pyridine-5-carboxamide
SYSTEMATIC NAME: 7-[(2,6-dimethylphenyl)methylamino]-N,N,1,2,3-pentamethyl-pyrrolo[3,2-b]pyridine-5-carboxamide
MOLECULAR FORMULA: C22H28N4O
MOLECULAR WEIGHT: 364.48392
SMILES: CC1=C(C(=CC=C1)C)CNC2=CC(=NC3=C2N(C(=C3C)C)C)C(=O)N(C)C
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Product OPENEYE NAME: (6Z)-6-(2-tert-butyl-1H-pyrimidin-6-ylidene)cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-(2-tert-butyl-1H-pyrimidin-6-ylidene)-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-(2-tert-butyl-1H-pyrimidin-6-ylidene)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-(2-tert-butyl-1H-pyrimidin-6-ylidene)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H16N2O
MOLECULAR WEIGHT: 228.28964
SMILES: CC(C)(C)C1=NC=C/C(=C/2\C=CC=CC2=O)/N1
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Product OPENEYE NAME: (6Z)-6-[2-tert-butyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-pyrimidin-6-ylidene]-4-chloro-cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[2-tert-butyl-5-(1H-1,2,4-triazol-5-ylthio)-1H-pyrimidin-6-ylidene]-4-chloro-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[2-tert-butyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-pyrimidin-6-ylidene]-4-chlorocyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[2-tert-butyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-1H-pyrimidin-6-ylidene]-4-chloranyl-cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H16ClN5OS
MOLECULAR WEIGHT: 361.84914
SMILES: CC(C)(C)C1=NC=C(/C(=C/2\C=C(C=CC2=O)Cl)/N1)SC3=NC=NN3
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Product OPENEYE NAME: (6Z)-6-[2-tert-butyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-6-[2-tert-butyl-5-[(4-methyl-1,2,4-triazol-3-yl)thio]-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-6-[2-tert-butyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[2-tert-butyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C17H19N5OS
MOLECULAR WEIGHT: 341.43066
SMILES: CC(C)(C)C1=NC=C(/C(=C/2\C=CC=CC2=O)/N1)SC3=NN=CN3C
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Product OPENEYE NAME: 4-[[4-(p-tolyl)piperazin-1-yl]methyl]benzonitrile
CAS Name: 4-[[4-(4-methylphenyl)-1-piperazinyl]methyl]benzonitrile
IUPAC NAME: 4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzonitrile
SYSTEMATIC NAME: 4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C19H21N3
MOLECULAR WEIGHT: 291.39014
SMILES: CC1=CC=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C3)C#N
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MOLECULAR FORMULA: C80H112N20O22
MOLECULAR WEIGHT: 1705.86608
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)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)N)C(=O)N4C[C@@H](C[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](CC
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Product OPENEYE NAME: [(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-tetrahydrothiophen-2-yl]-thiomorpholino-methanone
CAS Name: [(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-2-thiolanyl]-thiomorpholin-4-ylmethanone
IUPAC NAME: [(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxythiolan-2-yl]-thiomorpholin-4-ylmethanone
SYSTEMATIC NAME: [(2S,3S,4R,5R)-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)thiolan-2-yl]-thiomorpholin-4-yl-methanone
MOLECULAR FORMULA: C21H22ClIN6O3S2
MOLECULAR WEIGHT: 632.92525
SMILES: C1CSCCN1C(=O)[C@@H]2[C@H]([C@H]([C@@H](S2)N3C=NC4=C3N=C(N=C4NCC5=CC(=CC=C5)I)Cl)O)O
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Product OPENEYE NAME: [(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-tetrahydrothiophen-2-yl]-(4-hydroxy-1-piperidyl)methanone
CAS Name: [(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-2-thiolanyl]-(4-hydroxy-1-piperidinyl)methanone
IUPAC NAME: [(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxythiolan-2-yl]-(4-hydroxypiperidin-1-yl)methanone
SYSTEMATIC NAME: [(2S,3S,4R,5R)-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)thiolan-2-yl]-(4-oxidanylpiperidin-1-yl)methanone
MOLECULAR FORMULA: C22H24ClIN6O4S
MOLECULAR WEIGHT: 630.88623
SMILES: C1CN(CCC1O)C(=O)[C@@H]2[C@H]([C@H]([C@@H](S2)N3C=NC4=C3N=C(N=C4NCC5=CC(=CC=C5)I)Cl)O)O
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Product OPENEYE NAME: (4S)-4-amino-5-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-benzyl-3-(3,5-dinitroanilino)-2-hydroxy-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)-4-(3,5-dinitroanilino)-3-hydroxy-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)-4-(3,5-dinitroanilino)-3-hydroxy-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-[(3,5-dinitrophenyl)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: C32H43N7O11
MOLECULAR WEIGHT: 701.72412
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C(=O)NC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)N
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Product OPENEYE NAME: (4S)-4-amino-5-[[(1S)-1-[[(1S)-1-[[(1S,2R)-1-benzyl-2-hydroxy-3-oxo-3-[3-(trifluoromethylsulfonylcarbamoyl)anilino]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-oxo-4-[3-[oxo-(trifluoromethylsulfonylamino)methyl]anilino]-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-oxo-1-phenyl-4-[3-(trifluoromethylsulfonylcarbamoyl)anilino]butan-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)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-4-oxidanylidene-1-phenyl-4-[[3-(trifluoromethylsulfonylcarbamoyl)phenyl]amino]butan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pe
MOLECULAR FORMULA: C34H45F3N6O10S
MOLECULAR WEIGHT: 786.81551
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C(=O)NC2=CC=CC(=C2)C(=O)NS(=O)(=O)C(F)(F)F)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)N
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Product OPENEYE NAME: [2-(aminomethyl)-1-phenyl-cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CAS Name: [2-(aminomethyl)-1-phenylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
IUPAC NAME: [2-(aminomethyl)-1-phenylcyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SYSTEMATIC NAME: [2-(aminomethyl)-1-phenyl-cyclopropyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
MOLECULAR FORMULA: C20H22N2O
MOLECULAR WEIGHT: 306.40148
SMILES: C1CC2=CC=CC=C2N(C1)C(=O)C3(CC3CN)C4=CC=CC=C4
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Product OPENEYE NAME: [(2R)-1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-yl]methanol
CAS Name: [(2R)-1-[2-[4-[2-(phenylmethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]-2-pyrrolidinyl]methanol
IUPAC NAME: [(2R)-1-[2-[4-(2-benzyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl)phenyl]ethyl]pyrrolidin-2-yl]methanol
SYSTEMATIC NAME: [(2R)-1-[2-[4-[2-(phenylmethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidin-2-yl]methanol
MOLECULAR FORMULA: C27H34N2O
MOLECULAR WEIGHT: 402.57166
SMILES: C1C[C@@H](N(C1)CCC2=CC=C(C=C2)C3=CCC4C3CN(C4)CC5=CC=CC=C5)CO
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Product OPENEYE NAME: (2S)-2-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonyl-anilino]propanoic acid
CAS Name: (2S)-2-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanoic acid
IUPAC NAME: (2S)-2-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanoic acid
SYSTEMATIC NAME: (2S)-3-[[4-(4-methylphenoxy)phenyl]-methylsulfonyl-amino]-2-oxidanyl-propanoic acid
MOLECULAR FORMULA: C17H19NO6S
MOLECULAR WEIGHT: 365.40086
SMILES: CC1=CC=C(C=C1)OC2=CC=C(C=C2)N(C[C@@H](C(=O)O)O)S(=O)(=O)C
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Product OPENEYE NAME: 2-benzyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
CAS Name: 2-(phenylmethyl)-4-[4-[2-(1-pyrrolidinyl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
IUPAC NAME: 2-benzyl-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SYSTEMATIC NAME: 2-(phenylmethyl)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
MOLECULAR FORMULA: C26H32N2
MOLECULAR WEIGHT: 372.54568
SMILES: C1CCN(C1)CCC2=CC=C(C=C2)C3=CCC4C3CN(C4)CC5=CC=CC=C5
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Product OPENEYE NAME: 2-benzyl-4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
CAS Name: 4-[4-[2-(2-methyl-1-pyrrolidinyl)ethyl]phenyl]-2-(phenylmethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
IUPAC NAME: 2-benzyl-4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SYSTEMATIC NAME: 4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-2-(phenylmethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
MOLECULAR FORMULA: C27H34N2
MOLECULAR WEIGHT: 386.57226
SMILES: CC1CCCN1CCC2=CC=C(C=C2)C3=CCC4C3CN(C4)CC5=CC=CC=C5
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Product OPENEYE NAME: 2-benzyl-4-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
CAS Name: 4-[4-[2-(4-methyl-1-piperazinyl)ethyl]phenyl]-2-(phenylmethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
IUPAC NAME: 2-benzyl-4-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
SYSTEMATIC NAME: 4-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(phenylmethyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole
MOLECULAR FORMULA: C27H35N3
MOLECULAR WEIGHT: 401.5869
SMILES: CN1CCN(CC1)CCC2=CC=C(C=C2)C3=CCC4C3CN(C4)CC5=CC=CC=C5
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Product OPENEYE NAME: (2E,5E)-2,5-bis[(5-methyl-2-thienyl)methylene]cyclopentanone
CAS Name: (2E,5E)-2,5-bis[(5-methyl-2-thiophenyl)methylidene]-1-cyclopentanone
IUPAC NAME: (2E,5E)-2,5-bis[(5-methylthiophen-2-yl)methylidene]cyclopentan-1-one
SYSTEMATIC NAME: (2E,5E)-2,5-bis[(5-methylthiophen-2-yl)methylidene]cyclopentan-1-one
MOLECULAR FORMULA: C17H16OS2
MOLECULAR WEIGHT: 300.43834
SMILES: CC1=CC=C(S1)/C=C\2/C(=O)/C(=C/C3=CC=C(S3)C)/CC2
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Product OPENEYE NAME: 1-(4-nitrophenyl)sulfonyl-3-(6-phenylsulfanylpurin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepine
CAS Name: 1-(4-nitrophenyl)sulfonyl-3-[6-(phenylthio)-7-purinyl]-3,5-dihydro-2H-4,1-benzoxazepine
IUPAC NAME: 1-(4-nitrophenyl)sulfonyl-3-(6-phenylsulfanylpurin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepine
SYSTEMATIC NAME: 1-(4-nitrophenyl)sulfonyl-3-(6-phenylsulfanylpurin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepine
MOLECULAR FORMULA: C26H20N6O5S2
MOLECULAR WEIGHT: 560.6042
SMILES: C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4C=NC5=C4C(=NC=N5)SC6=CC=CC=C6
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