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MOLECULAR FORMULA: C24H29N5O2
MOLECULAR WEIGHT: 419.51936
SMILES: CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCCC4)C(=O)NC5CCCC5
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MOLECULAR FORMULA: C20H22N4O3
MOLECULAR WEIGHT: 366.41368
SMILES: CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)C4CCCC4
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MOLECULAR FORMULA: C19H21N5O2
MOLECULAR WEIGHT: 351.40234
SMILES: CCNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)C4CCCC4
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MOLECULAR FORMULA: C20H23N5O2
MOLECULAR WEIGHT: 365.42892
SMILES: CCNC(=O)C1=CC2=C(N=C3C=CC(=CN3C2=O)C)N(C1=N)C4CCCC4
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MOLECULAR FORMULA: C22H21N5O3
MOLECULAR WEIGHT: 403.43384
SMILES: C1CCC(C1)N2C3=C(C=C(C2=N)C(=O)NCC4=CC=CO4)C(=O)N5C=CC=CC5=N3
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MOLECULAR FORMULA: C23H23N5O3
MOLECULAR WEIGHT: 417.46042
SMILES: CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)C(=O)NCC5=CC=CO5
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MOLECULAR FORMULA: C23H23N5O3
MOLECULAR WEIGHT: 417.46042
SMILES: CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)C(=O)NCC5=CC=CO5)C=C1
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MOLECULAR FORMULA: C24H23N5O2
MOLECULAR WEIGHT: 413.47172
SMILES: C1CCC(C1)N2C3=C(C=C(C2=N)C(=O)NCC4=CC=CC=C4)C(=O)N5C=CC=CC5=N3
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MOLECULAR FORMULA: C23H22N6O2
MOLECULAR WEIGHT: 414.45978
SMILES: C1CCC(C1)N2C3=C(C=C(C2=N)C(=O)NCC4=CN=CC=C4)C(=O)N5C=CC=CC5=N3
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MOLECULAR FORMULA: C25H25N5O2
MOLECULAR WEIGHT: 427.4983
SMILES: C1CCC(C1)N2C3=C(C=C(C2=N)C(=O)NCCC4=CC=CC=C4)C(=O)N5C=CC=CC5=N3
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Product OPENEYE NAME: methyl (4S)-4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thienyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4S)-4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thiophenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S)-4-[4-[(4-fluorophenoxy)methyl]-5-methylthiophen-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl (4S)-4-[4-[(4-fluoranylphenoxy)methyl]-5-methyl-thiophen-2-yl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C24H24FNO4S
MOLECULAR WEIGHT: 441.515063
SMILES: CC1=C([C@H](C2=C(N1)CCCC2=O)C3=CC(=C(S3)C)COC4=CC=C(C=C4)F)C(=O)OC
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Product OPENEYE NAME: methyl (4R)-4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thienyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CAS Name: (4R)-4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thiophenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-4-[4-[(4-fluorophenoxy)methyl]-5-methylthiophen-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl (4R)-4-[4-[(4-fluoranylphenoxy)methyl]-5-methyl-thiophen-2-yl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C24H24FNO4S
MOLECULAR WEIGHT: 441.515063
SMILES: CC1=C([C@@H](C2=C(N1)CCCC2=O)C3=CC(=C(S3)C)COC4=CC=C(C=C4)F)C(=O)OC
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Product OPENEYE NAME: (4S)-2-amino-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CAS Name: (4S)-2-amino-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile
IUPAC NAME: (4S)-2-amino-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SYSTEMATIC NAME: (4S)-2-azanyl-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile
MOLECULAR FORMULA: C27H28N2O4
MOLECULAR WEIGHT: 444.52222
SMILES: CC1=CC(=C(C(=C1)C)COC2=C(C=C(C=C2)[C@H]3C(=C(OC4=C3C(=O)CCC4)N)C#N)OC)C
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Product OPENEYE NAME: (4R)-2-amino-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CAS Name: (4R)-2-amino-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile
IUPAC NAME: (4R)-2-amino-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SYSTEMATIC NAME: (4R)-2-azanyl-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile
MOLECULAR FORMULA: C27H28N2O4
MOLECULAR WEIGHT: 444.52222
SMILES: CC1=CC(=C(C(=C1)C)COC2=C(C=C(C=C2)[C@@H]3C(=C(OC4=C3C(=O)CCC4)N)C#N)OC)C
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Product OPENEYE NAME: (4S)-2-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thienyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CAS Name: (4S)-2-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thiophenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile
IUPAC NAME: (4S)-2-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methylthiophen-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SYSTEMATIC NAME: (4S)-2-azanyl-4-[4-[(4-fluoranylphenoxy)methyl]-5-methyl-thiophen-2-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile
MOLECULAR FORMULA: C22H19FN2O3S
MOLECULAR WEIGHT: 410.461263
SMILES: CC1=C(C=C(S1)[C@H]2C(=C(OC3=C2C(=O)CCC3)N)C#N)COC4=CC=C(C=C4)F
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Product OPENEYE NAME: (4R)-2-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thienyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CAS Name: (4R)-2-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thiophenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile
IUPAC NAME: (4R)-2-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methylthiophen-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SYSTEMATIC NAME: (4R)-2-azanyl-4-[4-[(4-fluoranylphenoxy)methyl]-5-methyl-thiophen-2-yl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile
MOLECULAR FORMULA: C22H19FN2O3S
MOLECULAR WEIGHT: 410.461263
SMILES: CC1=C(C=C(S1)[C@@H]2C(=C(OC3=C2C(=O)CCC3)N)C#N)COC4=CC=C(C=C4)F
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Product OPENEYE NAME: (4S)-2-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thienyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CAS Name: (4S)-2-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thiophenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile
IUPAC NAME: (4S)-2-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methylthiophen-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
SYSTEMATIC NAME: (4S)-2-azanyl-4-[4-[(4-fluoranylphenoxy)methyl]-5-methyl-thiophen-2-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile
MOLECULAR FORMULA: C24H23FN2O3S
MOLECULAR WEIGHT: 438.514423
SMILES: CC1=C(C=C(S1)[C@H]2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)COC4=CC=C(C=C4)F
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Product OPENEYE NAME: (4R)-2-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thienyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CAS Name: (4R)-2-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thiophenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile
IUPAC NAME: (4R)-2-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methylthiophen-2-yl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
SYSTEMATIC NAME: (4R)-2-azanyl-4-[4-[(4-fluoranylphenoxy)methyl]-5-methyl-thiophen-2-yl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile
MOLECULAR FORMULA: C24H23FN2O3S
MOLECULAR WEIGHT: 438.514423
SMILES: CC1=C(C=C(S1)[C@@H]2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)COC4=CC=C(C=C4)F
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Product OPENEYE NAME: (4R)-6-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thienyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: (4R)-6-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thiophenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: (4R)-6-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methylthiophen-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: (4R)-6-azanyl-4-[4-[(4-fluoranylphenoxy)methyl]-5-methyl-thiophen-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C20H17FN4O2S
MOLECULAR WEIGHT: 396.437983
SMILES: CC1=C2[C@@H](C(=C(OC2=NN1)N)C#N)C3=CC(=C(S3)C)COC4=CC=C(C=C4)F
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Product OPENEYE NAME: (4S)-6-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thienyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: (4S)-6-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thiophenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: (4S)-6-amino-4-[4-[(4-fluorophenoxy)methyl]-5-methylthiophen-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: (4S)-6-azanyl-4-[4-[(4-fluoranylphenoxy)methyl]-5-methyl-thiophen-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C20H17FN4O2S
MOLECULAR WEIGHT: 396.437983
SMILES: CC1=C2[C@H](C(=C(OC2=NN1)N)C#N)C3=CC(=C(S3)C)COC4=CC=C(C=C4)F
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Product OPENEYE NAME: (4R)-6-amino-4-[5-[(2,6-dimethoxyphenoxy)methyl]-2,4-dimethyl-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: (4R)-6-amino-4-[5-[(2,6-dimethoxyphenoxy)methyl]-2,4-dimethylphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: (4R)-6-amino-4-[5-[(2,6-dimethoxyphenoxy)methyl]-2,4-dimethylphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: (4R)-6-azanyl-4-[5-[(2,6-dimethoxyphenoxy)methyl]-2,4-dimethyl-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C25H26N4O4
MOLECULAR WEIGHT: 446.49834
SMILES: CC1=CC(=C(C=C1[C@@H]2C(=C(OC3=NNC(=C23)C)N)C#N)COC4=C(C=CC=C4OC)OC)C
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Product OPENEYE NAME: (4S)-6-amino-4-[5-[(2,6-dimethoxyphenoxy)methyl]-2,4-dimethyl-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CAS Name: (4S)-6-amino-4-[5-[(2,6-dimethoxyphenoxy)methyl]-2,4-dimethylphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC NAME: (4S)-6-amino-4-[5-[(2,6-dimethoxyphenoxy)methyl]-2,4-dimethylphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: (4S)-6-azanyl-4-[5-[(2,6-dimethoxyphenoxy)methyl]-2,4-dimethyl-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C25H26N4O4
MOLECULAR WEIGHT: 446.49834
SMILES: CC1=CC(=C(C=C1[C@H]2C(=C(OC3=NNC(=C23)C)N)C#N)COC4=C(C=CC=C4OC)OC)C
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Product OPENEYE NAME: (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]phenoxy]propan-2-ol
CAS Name: (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenoxy]-2-propanol
IUPAC NAME: (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
SYSTEMATIC NAME: (2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]phenoxy]propan-2-ol
MOLECULAR FORMULA: C30H36N2O4
MOLECULAR WEIGHT: 488.61784
SMILES: C1CN(CC2=CC=CC=C21)C[C@@H](COC3=CC=C(C=C3)OC[C@H](CN4CCC5=CC=CC=C5C4)O)O
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Product OPENEYE NAME: 3-[(2S)-2-(p-tolyl)thiazolidine-3-carbonyl]chromen-2-one
CAS Name: 3-[[(2S)-2-(4-methylphenyl)-3-thiazolidinyl]-oxomethyl]-1-benzopyran-2-one
IUPAC NAME: 3-[(2S)-2-(4-methylphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one
SYSTEMATIC NAME: 3-[[(2S)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]carbonyl]chromen-2-one
MOLECULAR FORMULA: C20H17NO3S
MOLECULAR WEIGHT: 351.41888
SMILES: CC1=CC=C(C=C1)[C@H]2N(CCS2)C(=O)C3=CC4=CC=CC=C4OC3=O
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