CAS RN: 64670-42-4
CAS Name: 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate
IUPAC Name: dimethyl 2-(3,4-dimethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 2-(3,4-dimethoxyphenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate
MOLECULAR FORMULA: C19H24O8
MOLECULAR WEIGHT: 380.38906
SMILES: CC1(CC(=O)C(C(C1C(=O)OC)C2=CC(=C(C=C2)OC)OC)C(=O)OC)O
Structure:
CAS RN: 5787-14-4
CAS Name: 7-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
OPENEYE Name: methyl 7-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
IUPAC Name: methyl 7-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl 7-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C25H22FNO5
MOLECULAR WEIGHT: 435.444283
SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5F)C(=O)OC
Structure:
CAS RN: 5786-64-1
CAS Name: 4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one
OPENEYE Name: 4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one
IUPAC Name: 4-hydroxy-3-methylsulfonyl-1,2-diphenyl-2H-pyrrol-5-one
SYSTEMATIC NAME: 3-methylsulfonyl-4-oxidanyl-1,2-diphenyl-2H-pyrrol-5-one
MOLECULAR FORMULA: C17H15NO4S
MOLECULAR WEIGHT: 329.3703
SMILES: CS(=O)(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)C3=CC=CC=C3)O
Structure:
CAS RN: 5786-47-0
CAS Name: 2-amino-4-[4-(diethylamino)phenyl]-5-oxo-4H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
OPENEYE Name: 2-amino-4-[4-(diethylamino)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
IUPAC Name: 2-amino-4-[4-(diethylamino)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-[4-(diethylamino)phenyl]-5-oxidanylidene-4H-pyrano[3,2-c]chromene-3-carbonitrile
MOLECULAR FORMULA: C23H21N3O3
MOLECULAR WEIGHT: 387.43114
SMILES: CCN(CC)C1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)OC4=CC=CC=C43)N)C#N
Structure:
CAS RN: 5785-96-6
CAS Name: 2-[[[2-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]butanoic acid
OPENEYE Name: 2-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]butanoic acid
IUPAC Name: 2-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]butanoic acid
SYSTEMATIC NAME: 2-[[2-[(4-methoxyphenyl)carbonylamino]phenyl]carbonylamino]butanoic acid
MOLECULAR FORMULA: C19H20N2O5
MOLECULAR WEIGHT: 356.3725
SMILES: CCC(C(=O)O)NC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC
Structure:
CAS RN: 5785-90-0
CAS Name: 4-[(4-chlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole hydrochloride
OPENEYE Name: 4-[(4-chlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole hydrochloride
IUPAC Name: 4-[(4-chlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole hydrochloride
SYSTEMATIC NAME: 4-[(4-chlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole hydrochloride
MOLECULAR FORMULA: C16H15Cl2N3
MOLECULAR WEIGHT: 320.2164
SMILES: C1CN2C3=CC=CC=C3N(C2=N1)CC4=CC=C(C=C4)Cl.Cl
Structure:
CAS RN: 5785-74-0
CAS Name: (5-bromo-2-hydroxyphenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
OPENEYE Name: (5-bromo-2-hydroxy-phenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
IUPAC Name: (5-bromo-2-hydroxyphenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
SYSTEMATIC NAME: (5-bromanyl-2-oxidanyl-phenyl)-(3-methyl-5-oxidanyl-5-phenyl-4H-pyrazol-1-yl)methanone
MOLECULAR FORMULA: C17H15BrN2O3
MOLECULAR WEIGHT: 375.2166
SMILES: CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)C3=C(C=CC(=C3)Br)O
Structure:
CAS RN: 5785-54-6
CAS Name: 1-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
OPENEYE Name: 1-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
IUPAC Name: 1-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C17H13Cl2NO2
MOLECULAR WEIGHT: 334.19662
SMILES: C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)Cl
Structure:
CAS RN: 5785-50-2
CAS Name: 3-(2-phenyl-3-imidazo[1,2-a]benzimidazolyl)-1-propanol hydrochloride
OPENEYE Name: 3-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)propan-1-ol hydrochloride
IUPAC Name: 3-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)propan-1-ol hydrochloride
SYSTEMATIC NAME: 3-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)propan-1-ol hydrochloride
MOLECULAR FORMULA: C18H18ClN3O
MOLECULAR WEIGHT: 327.80802
SMILES: C1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3N2CCCO.Cl
Structure:
CAS RN: 5785-46-6
CAS Name: 9-hydroxy-2-methyl-8-(4-morpholinylmethyl)-4-pyrido[1,2-a]pyrimidinone hydrochloride
OPENEYE Name: 9-hydroxy-2-methyl-8-(morpholinomethyl)pyrido[1,2-a]pyrimidin-4-one hydrochloride
IUPAC Name: 9-hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one hydrochloride
SYSTEMATIC NAME: 2-methyl-8-(morpholin-4-ylmethyl)-9-oxidanyl-pyrido[1,2-a]pyrimidin-4-one hydrochloride
MOLECULAR FORMULA: C14H18ClN3O3
MOLECULAR WEIGHT: 311.76402
SMILES: CC1=CC(=O)N2C=CC(=C(C2=N1)O)CN3CCOCC3.Cl
Structure:
CAS RN: 148930-27-2
CAS Name: 2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid
OPENEYE Name: 2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid
IUPAC Name: 2-(4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrol-3-yl)acetic acid
SYSTEMATIC NAME: 2-(4-oxidanyl-5-oxidanylidene-1,2-diphenyl-2H-pyrrol-3-yl)ethanoic acid
MOLECULAR FORMULA: C18H15NO4
MOLECULAR WEIGHT: 309.316
SMILES: C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=CC=C3)O)CC(=O)O
Structure:
CAS RN: 5784-58-7
CAS Name: 2-chloro-5-nitro-N-(2-pyridinylmethyl)benzenesulfonamide
OPENEYE Name: 2-chloro-5-nitro-N-(2-pyridylmethyl)benzenesulfonamide
IUPAC Name: 2-chloro-5-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
SYSTEMATIC NAME: 2-chloranyl-5-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
MOLECULAR FORMULA: C12H10ClN3O4S
MOLECULAR WEIGHT: 327.7435
SMILES: C1=CC=NC(=C1)CNS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
Structure:
CAS RN: 5781-69-1
CAS Name: N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)-5-tetrazolyl]-1-phenylmethanamine
OPENEYE Name: N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[1-(o-tolyl)tetrazol-5-yl]-1-phenyl-methanamine
IUPAC Name: N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
SYSTEMATIC NAME: N-[[2,4-bis(fluoranyl)phenyl]methyl]-N-methyl-1-[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]-1-phenyl-methanamine
MOLECULAR FORMULA: C23H21F2N5
MOLECULAR WEIGHT: 405.443146
SMILES: CC1=CC=CC=C1N2C(=NN=N2)C(C3=CC=CC=C3)N(C)CC4=C(C=C(C=C4)F)F
Structure:
CAS RN: 5781-62-4
CAS Name: N-[(4-bromophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)-5-tetrazolyl]-1-phenylmethanamine
OPENEYE Name: N-[(4-bromophenyl)methyl]-N-methyl-1-[1-(o-tolyl)tetrazol-5-yl]-1-phenyl-methanamine
IUPAC Name: N-[(4-bromophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
SYSTEMATIC NAME: N-[(4-bromophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]-1-phenyl-methanamine
MOLECULAR FORMULA: C23H22BrN5
MOLECULAR WEIGHT: 448.35828
SMILES: CC1=CC=CC=C1N2C(=NN=N2)C(C3=CC=CC=C3)N(C)CC4=CC=C(C=C4)Br
Structure:
CAS RN: 5780-46-1
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,4,5-trimethoxybenzamide
OPENEYE Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,4,5-trimethoxy-benzamide
IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,4,5-trimethoxybenzamide
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,4,5-trimethoxy-benzamide
MOLECULAR FORMULA: C19H21NO6
MOLECULAR WEIGHT: 359.37314
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NCC2COC3=CC=CC=C3O2
Structure:
CAS RN: 5778-27-8
CAS Name: (2,6-dimethyl-4-morpholinyl)-(5-methyl-3-phenyl-4-isoxazolyl)methanone
OPENEYE Name: (2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-isoxazol-4-yl)methanone
IUPAC Name: (2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SYSTEMATIC NAME: (2,6-dimethylmorpholin-4-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
MOLECULAR FORMULA: C17H20N2O3
MOLECULAR WEIGHT: 300.3523
SMILES: CC1CN(CC(O1)C)C(=O)C2=C(ON=C2C3=CC=CC=C3)C
Structure:
CAS RN: 5772-22-5
CAS Name: 1,3-dioxo-2-(2-oxolanylmethyl)-N-(2-thiazolyl)-5-isoindolecarboxamide
OPENEYE Name: 1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)-N-thiazol-2-yl-isoindoline-5-carboxamide
IUPAC Name: 1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
SYSTEMATIC NAME: 1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
MOLECULAR FORMULA: C17H15N3O4S
MOLECULAR WEIGHT: 357.3837
SMILES: C1CC(OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NC=CS4
Structure:
CAS RN: 5772-07-6
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(3-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]acetamide
OPENEYE Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(3-chlorophenyl)-2,5-dioxo-pyrrolidin-3-yl]acetamide
IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]ethanamide
MOLECULAR FORMULA: C20H17ClN2O5
MOLECULAR WEIGHT: 400.81238
SMILES: CC(=O)N(CC1=CC2=C(C=C1)OCO2)C3CC(=O)N(C3=O)C4=CC(=CC=C4)Cl
Structure:
CAS RN: 5772-06-5
CAS Name: 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-phenoxyethyl ester
OPENEYE Name: 2-phenoxyethyl 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
IUPAC Name: 2-phenoxyethyl 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
SYSTEMATIC NAME: 2-phenoxyethyl 4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate
MOLECULAR FORMULA: C29H33NO6
MOLECULAR WEIGHT: 491.57542
SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C(=CC=C3)OC)OC)C(=O)OCCOC4=CC=CC=C4
Structure:
CAS RN: 5770-15-0
CAS Name: 8-[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-5-nitroquinoline
OPENEYE Name: 8-[4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]-5-nitro-quinoline
IUPAC Name: 8-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-5-nitroquinoline
SYSTEMATIC NAME: 8-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-5-nitro-quinoline
MOLECULAR FORMULA: C19H16ClN5O4
MOLECULAR WEIGHT: 413.81444
SMILES: C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4
Structure:
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