Tuesday, March 27, 2012

All Chemical Compounds Information



Product OPENEYE NAME: (6S,9S)-5-acetyl-9-[4-(dimethylamino)phenyl]-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CAS Name: (6S,9S)-5-acetyl-9-[4-(dimethylamino)phenyl]-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6S,9S)-5-acetyl-9-[4-(dimethylamino)phenyl]-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6S,9S)-9-[4-(dimethylamino)phenyl]-5-ethanoyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C27H27N3O2S
MOLECULAR WEIGHT: 457.58718
SMILES: CC(=O)N1[C@@H](C2=C(C[C@@H](CC2=O)C3=CC=C(C=C3)N(C)C)NC4=CC=CC=C41)C5=CC=CS5
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Product OPENEYE NAME: (6R,9S)-5-acetyl-9-[4-(dimethylamino)phenyl]-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CAS Name: (6R,9S)-5-acetyl-9-[4-(dimethylamino)phenyl]-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6R,9S)-5-acetyl-9-[4-(dimethylamino)phenyl]-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6R,9S)-9-[4-(dimethylamino)phenyl]-5-ethanoyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C27H27N3O2S
MOLECULAR WEIGHT: 457.58718
SMILES: CC(=O)N1[C@H](C2=C(C[C@@H](CC2=O)C3=CC=C(C=C3)N(C)C)NC4=CC=CC=C41)C5=CC=CS5
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Product OPENEYE NAME: (6S,9R)-5-acetyl-9-[4-(dimethylamino)phenyl]-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CAS Name: (6S,9R)-5-acetyl-9-[4-(dimethylamino)phenyl]-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6S,9R)-5-acetyl-9-[4-(dimethylamino)phenyl]-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6S,9R)-9-[4-(dimethylamino)phenyl]-5-ethanoyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C27H27N3O2S
MOLECULAR WEIGHT: 457.58718
SMILES: CC(=O)N1[C@@H](C2=C(C[C@H](CC2=O)C3=CC=C(C=C3)N(C)C)NC4=CC=CC=C41)C5=CC=CS5
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Product OPENEYE NAME: (6R,9R)-5-acetyl-9-[4-(dimethylamino)phenyl]-6-(2-thienyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CAS Name: (6R,9R)-5-acetyl-9-[4-(dimethylamino)phenyl]-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6R,9R)-5-acetyl-9-[4-(dimethylamino)phenyl]-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6R,9R)-9-[4-(dimethylamino)phenyl]-5-ethanoyl-6-thiophen-2-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C27H27N3O2S
MOLECULAR WEIGHT: 457.58718
SMILES: CC(=O)N1[C@H](C2=C(C[C@H](CC2=O)C3=CC=C(C=C3)N(C)C)NC4=CC=CC=C41)C5=CC=CS5
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Product OPENEYE NAME: (6R,9R)-5-acetyl-9-(p-tolyl)-6-(3-pyridyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CAS Name: (6R,9R)-5-acetyl-9-(4-methylphenyl)-6-(3-pyridinyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6R,9R)-5-acetyl-9-(4-methylphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6R,9R)-5-ethanoyl-9-(4-methylphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C27H25N3O2
MOLECULAR WEIGHT: 423.5063
SMILES: CC1=CC=C(C=C1)[C@@H]2CC3=C([C@H](N(C4=CC=CC=C4N3)C(=O)C)C5=CN=CC=C5)C(=O)C2
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Product OPENEYE NAME: (6R,9S)-5-acetyl-9-(p-tolyl)-6-(3-pyridyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CAS Name: (6R,9S)-5-acetyl-9-(4-methylphenyl)-6-(3-pyridinyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6R,9S)-5-acetyl-9-(4-methylphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6R,9S)-5-ethanoyl-9-(4-methylphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C27H25N3O2
MOLECULAR WEIGHT: 423.5063
SMILES: CC1=CC=C(C=C1)[C@H]2CC3=C([C@H](N(C4=CC=CC=C4N3)C(=O)C)C5=CN=CC=C5)C(=O)C2
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Product OPENEYE NAME: (6S,9R)-5-acetyl-9-(p-tolyl)-6-(3-pyridyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CAS Name: (6S,9R)-5-acetyl-9-(4-methylphenyl)-6-(3-pyridinyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6S,9R)-5-acetyl-9-(4-methylphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6S,9R)-5-ethanoyl-9-(4-methylphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C27H25N3O2
MOLECULAR WEIGHT: 423.5063
SMILES: CC1=CC=C(C=C1)[C@@H]2CC3=C([C@@H](N(C4=CC=CC=C4N3)C(=O)C)C5=CN=CC=C5)C(=O)C2
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Product OPENEYE NAME: (6S,9S)-5-acetyl-9-(p-tolyl)-6-(3-pyridyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CAS Name: (6S,9S)-5-acetyl-9-(4-methylphenyl)-6-(3-pyridinyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
IUPAC NAME: (6S,9S)-5-acetyl-9-(4-methylphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: (6S,9S)-5-ethanoyl-9-(4-methylphenyl)-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C27H25N3O2
MOLECULAR WEIGHT: 423.5063
SMILES: CC1=CC=C(C=C1)[C@H]2CC3=C([C@@H](N(C4=CC=CC=C4N3)C(=O)C)C5=CN=CC=C5)C(=O)C2
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Product OPENEYE NAME: 4-[(6R,9R)-9-(4-methoxyphenyl)-7-oxo-6-(3-pyridyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxo-butanoic acid
CAS Name: 4-[(6R,9R)-9-(4-methoxyphenyl)-7-oxo-6-(3-pyridinyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
IUPAC NAME: 4-[(6R,9R)-9-(4-methoxyphenyl)-7-oxo-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[(6R,9R)-9-(4-methoxyphenyl)-7-oxidanylidene-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C29H27N3O5
MOLECULAR WEIGHT: 497.54178
SMILES: COC1=CC=C(C=C1)[C@@H]2CC3=C([C@H](N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CN=CC=C5)C(=O)C2
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Product OPENEYE NAME: 4-[(6R,9S)-9-(4-methoxyphenyl)-7-oxo-6-(3-pyridyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxo-butanoic acid
CAS Name: 4-[(6R,9S)-9-(4-methoxyphenyl)-7-oxo-6-(3-pyridinyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
IUPAC NAME: 4-[(6R,9S)-9-(4-methoxyphenyl)-7-oxo-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[(6R,9S)-9-(4-methoxyphenyl)-7-oxidanylidene-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C29H27N3O5
MOLECULAR WEIGHT: 497.54178
SMILES: COC1=CC=C(C=C1)[C@H]2CC3=C([C@H](N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CN=CC=C5)C(=O)C2
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Product OPENEYE NAME: 4-[(6S,9R)-9-(4-methoxyphenyl)-7-oxo-6-(3-pyridyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxo-butanoic acid
CAS Name: 4-[(6S,9R)-9-(4-methoxyphenyl)-7-oxo-6-(3-pyridinyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
IUPAC NAME: 4-[(6S,9R)-9-(4-methoxyphenyl)-7-oxo-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[(6S,9R)-9-(4-methoxyphenyl)-7-oxidanylidene-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C29H27N3O5
MOLECULAR WEIGHT: 497.54178
SMILES: COC1=CC=C(C=C1)[C@@H]2CC3=C([C@@H](N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CN=CC=C5)C(=O)C2
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Product OPENEYE NAME: 4-[(6S,9S)-9-(4-methoxyphenyl)-7-oxo-6-(3-pyridyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxo-butanoic acid
CAS Name: 4-[(6S,9S)-9-(4-methoxyphenyl)-7-oxo-6-(3-pyridinyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
IUPAC NAME: 4-[(6S,9S)-9-(4-methoxyphenyl)-7-oxo-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[(6S,9S)-9-(4-methoxyphenyl)-7-oxidanylidene-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C29H27N3O5
MOLECULAR WEIGHT: 497.54178
SMILES: COC1=CC=C(C=C1)[C@H]2CC3=C([C@@H](N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CN=CC=C5)C(=O)C2
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Product OPENEYE NAME: 5,5-dimethyl-2-[[[1-(2-phenylacetyl)-4-piperidyl]methylamino]methylene]cyclohexane-1,3-dione
CAS Name: 5,5-dimethyl-2-[[[1-(1-oxo-2-phenylethyl)-4-piperidinyl]methylamino]methylidene]cyclohexane-1,3-dione
IUPAC NAME: 5,5-dimethyl-2-[[[1-(2-phenylacetyl)piperidin-4-yl]methylamino]methylidene]cyclohexane-1,3-dione
SYSTEMATIC NAME: 5,5-dimethyl-2-[[[1-(2-phenylethanoyl)piperidin-4-yl]methylamino]methylidene]cyclohexane-1,3-dione
MOLECULAR FORMULA: C23H30N2O3
MOLECULAR WEIGHT: 382.4959
SMILES: CC1(CC(=O)C(=CNCC2CCN(CC2)C(=O)CC3=CC=CC=C3)C(=O)C1)C
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Product OPENEYE NAME: methyl 2-[(6S)-6-(2-furyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]acetate
CAS Name: 2-[(6S)-6-(2-furanyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[(6S)-6-(furan-2-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]acetate
SYSTEMATIC NAME: methyl 2-[(6S)-6-(furan-2-yl)-9,9-dimethyl-7-oxidanylidene-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]ethanoate
MOLECULAR FORMULA: C22H24N2O4
MOLECULAR WEIGHT: 380.43696
SMILES: CC1(CC2=C([C@H](N(C3=CC=CC=C3N2)CC(=O)OC)C4=CC=CO4)C(=O)C1)C
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Product OPENEYE NAME: methyl 2-[(6R)-6-(2-furyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]acetate
CAS Name: 2-[(6R)-6-(2-furanyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[(6R)-6-(furan-2-yl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]acetate
SYSTEMATIC NAME: methyl 2-[(6R)-6-(furan-2-yl)-9,9-dimethyl-7-oxidanylidene-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]ethanoate
MOLECULAR FORMULA: C22H24N2O4
MOLECULAR WEIGHT: 380.43696
SMILES: CC1(CC2=C([C@@H](N(C3=CC=CC=C3N2)CC(=O)OC)C4=CC=CO4)C(=O)C1)C
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Product OPENEYE NAME: methyl 2-[(6S)-9,9-dimethyl-7-oxo-6-(2-thienyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]acetate
CAS Name: 2-[(6S)-9,9-dimethyl-7-oxo-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[(6S)-9,9-dimethyl-7-oxo-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]acetate
SYSTEMATIC NAME: methyl 2-[(6S)-9,9-dimethyl-7-oxidanylidene-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]ethanoate
MOLECULAR FORMULA: C22H24N2O3S
MOLECULAR WEIGHT: 396.50256
SMILES: CC1(CC2=C([C@H](N(C3=CC=CC=C3N2)CC(=O)OC)C4=CC=CS4)C(=O)C1)C
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Product OPENEYE NAME: methyl 2-[(6R)-9,9-dimethyl-7-oxo-6-(2-thienyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]acetate
CAS Name: 2-[(6R)-9,9-dimethyl-7-oxo-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]acetic acid methyl ester
IUPAC NAME: methyl 2-[(6R)-9,9-dimethyl-7-oxo-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]acetate
SYSTEMATIC NAME: methyl 2-[(6R)-9,9-dimethyl-7-oxidanylidene-6-thiophen-2-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]ethanoate
MOLECULAR FORMULA: C22H24N2O3S
MOLECULAR WEIGHT: 396.50256
SMILES: CC1(CC2=C([C@@H](N(C3=CC=CC=C3N2)CC(=O)OC)C4=CC=CS4)C(=O)C1)C
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Product OPENEYE NAME: N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CAS Name: N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide
IUPAC NAME: N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide
SYSTEMATIC NAME: N-[(7R)-5-oxidanylidene-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]ethanamide
MOLECULAR FORMULA: C19H21N3O5
MOLECULAR WEIGHT: 371.38714
SMILES: CC(=O)NC1=NC=C2C(=N1)C[C@H](CC2=O)C3=CC(=C(C(=C3)OC)OC)OC
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Product OPENEYE NAME: N-[(7S)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CAS Name: N-[(7S)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide
IUPAC NAME: N-[(7S)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide
SYSTEMATIC NAME: N-[(7S)-5-oxidanylidene-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]ethanamide
MOLECULAR FORMULA: C19H21N3O5
MOLECULAR WEIGHT: 371.38714
SMILES: CC(=O)NC1=NC=C2C(=N1)C[C@@H](CC2=O)C3=CC(=C(C(=C3)OC)OC)OC
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Product OPENEYE NAME: 2-[(5-allyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-chloro-2-methyl-phenyl)acetamide
CAS Name: N-(4-chloro-2-methylphenyl)-2-[(6-methyl-4-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)thio]acetamide
IUPAC NAME: N-(4-chloro-2-methylphenyl)-2-[(6-methyl-4-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-(4-chloranyl-2-methyl-phenyl)-2-[(6-methyl-4-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C17H18ClN3O2S
MOLECULAR WEIGHT: 363.86172
SMILES: CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NC(=O)C(=C(N2)C)CC=C
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Product OPENEYE NAME: 1-[2-(3,4-dichloroanilino)-2-oxo-ethyl]piperidine-4-carboxamide
CAS Name: 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide
MOLECULAR FORMULA: C14H17Cl2N3O2
MOLECULAR WEIGHT: 330.20968
SMILES: C1CN(CCC1C(=O)N)CC(=O)NC2=CC(=C(C=C2)Cl)Cl
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