CAS RN: 5492-38-6
CAS Name: 5-(4-chloroanilino)-3-phenylthiazolidine-2,4-dione
OPENEYE Name: 5-(4-chloroanilino)-3-phenyl-thiazolidine-2,4-dione
IUPAC Name: 5-(4-chloroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 5-[(4-chlorophenyl)amino]-3-phenyl-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C15H11ClN2O2S
MOLECULAR WEIGHT: 318.77804
SMILES: C1=CC=C(C=C1)N2C(=O)C(SC2=O)NC3=CC=C(C=C3)Cl
Structure:
CAS RN: 5491-64-5
CAS Name: [5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
OPENEYE Name: [5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenyl-methanone
IUPAC Name: (5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenylmethanone
SYSTEMATIC NAME: (5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-phenyl-methanone
MOLECULAR FORMULA: C26H20N2O
MOLECULAR WEIGHT: 376.4498
SMILES: C1C(N(N=C1C2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 5490-57-3
CAS Name: 2-amino-5-oxo-4-(phenylmethyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile
OPENEYE Name: 2-amino-4-benzyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
IUPAC Name: 2-amino-4-benzyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-5-oxidanylidene-4-(phenylmethyl)-4,6,7,8-tetrahydrochromene-3-carbonitrile
MOLECULAR FORMULA: C17H16N2O2
MOLECULAR WEIGHT: 280.32114
SMILES: C1CC2=C(C(C(=C(O2)N)C#N)CC3=CC=CC=C3)C(=O)C1
Structure:
CAS RN: 5490-18-6
CAS Name: 2-(difluoromethyl)-4-benzo[h][1]benzopyranone
OPENEYE Name: 2-(difluoromethyl)benzo[h]chromen-4-one
IUPAC Name: 2-(difluoromethyl)benzo[h]chromen-4-one
SYSTEMATIC NAME: 2-[bis(fluoranyl)methyl]benzo[h]chromen-4-one
MOLECULAR FORMULA: C14H8F2O2
MOLECULAR WEIGHT: 246.208926
SMILES: C1=CC=C2C(=C1)C=CC3=C2OC(=CC3=O)C(F)F
Structure:
CAS RN: 5489-50-9
CAS Name: acetic acid [4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl] ester
OPENEYE Name: [4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl] acetate
IUPAC Name: [4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl] acetate
SYSTEMATIC NAME: [4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl] ethanoate
MOLECULAR FORMULA: C23H20N2O2
MOLECULAR WEIGHT: 356.4171
SMILES: CC(=O)OC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 5487-78-5
CAS Name: (2E)-2-[(4-chloro-2-nitroanilino)methylidene]-1-cyclohexanone
OPENEYE Name: (2E)-2-[(4-chloro-2-nitro-anilino)methylene]cyclohexanone
IUPAC Name: (2E)-2-[(4-chloro-2-nitroanilino)methylidene]cyclohexan-1-one
SYSTEMATIC NAME: (2E)-2-[[(4-chloranyl-2-nitro-phenyl)amino]methylidene]cyclohexan-1-one
MOLECULAR FORMULA: C13H13ClN2O3
MOLECULAR WEIGHT: 280.70692
SMILES: C1CCC(=O)/C(=C/NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])/C1
Structure:
CAS RN: 5486-63-5
CAS Name: 2-hydroxy-2-(1,1,2,2-tetrafluoroethyl)-3H-benzo[h][1]benzopyran-4-one
OPENEYE Name: 2-hydroxy-2-(1,1,2,2-tetrafluoroethyl)-3H-benzo[h]chromen-4-one
IUPAC Name: 2-hydroxy-2-(1,1,2,2-tetrafluoroethyl)-3H-benzo[h]chromen-4-one
SYSTEMATIC NAME: 2-oxidanyl-2-[1,1,2,2-tetrakis(fluoranyl)ethyl]-3H-benzo[h]chromen-4-one
MOLECULAR FORMULA: C15H10F4O3
MOLECULAR WEIGHT: 314.231713
SMILES: C1C(=O)C2=C(C3=CC=CC=C3C=C2)OC1(C(C(F)F)(F)F)O
Structure:
CAS RN: 5486-36-2
CAS Name: 4-bromo-N-(4-tert-butyl-2-nitrophenyl)benzamide
OPENEYE Name: 4-bromo-N-(4-tert-butyl-2-nitro-phenyl)benzamide
IUPAC Name: 4-bromo-N-(4-tert-butyl-2-nitrophenyl)benzamide
SYSTEMATIC NAME: 4-bromanyl-N-(4-tert-butyl-2-nitro-phenyl)benzamide
MOLECULAR FORMULA: C17H17BrN2O3
MOLECULAR WEIGHT: 377.23248
SMILES: CC(C)(C)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]
Structure:
CAS RN: 5486-12-4
CAS Name: 2-methoxy-7-nitro-10H-acridin-9-one
OPENEYE Name: 2-methoxy-7-nitro-10H-acridin-9-one
IUPAC Name: 2-methoxy-7-nitro-10H-acridin-9-one
SYSTEMATIC NAME: 2-methoxy-7-nitro-10H-acridin-9-one
MOLECULAR FORMULA: C14H10N2O4
MOLECULAR WEIGHT: 270.2402
SMILES: COC1=CC2=C(C=C1)NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 5485-58-5
CAS Name: 2,2-dimethyl-5-thiophen-2-yl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
OPENEYE Name: 2,2-dimethyl-5-(2-thienyl)-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
IUPAC Name: 2,2-dimethyl-5-thiophen-2-yl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
SYSTEMATIC NAME: 2,2-dimethyl-5-thiophen-2-yl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
MOLECULAR FORMULA: C23H21NOS
MOLECULAR WEIGHT: 359.48394
SMILES: CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC=CS5)C(=O)C1)C
Structure:
CAS RN: 5484-60-6
CAS Name: N-[1-[4,5-bis(dimethylamino)-1-naphthalenyl]-2,2,2-trichloroethyl]-4-chlorobenzenesulfonamide
OPENEYE Name: N-[1-[4,5-bis(dimethylamino)-1-naphthyl]-2,2,2-trichloro-ethyl]-4-chloro-benzenesulfonamide
IUPAC Name: N-[1-[4,5-bis(dimethylamino)naphthalen-1-yl]-2,2,2-trichloroethyl]-4-chlorobenzenesulfonamide
SYSTEMATIC NAME: N-[1-[4,5-bis(dimethylamino)naphthalen-1-yl]-2,2,2-tris(chloranyl)ethyl]-4-chloranyl-benzenesulfonamide
MOLECULAR FORMULA: C22H23Cl4N3O2S
MOLECULAR WEIGHT: 535.31392
SMILES: CN(C)C1=C2C(=C(C=C1)C(C(Cl)(Cl)Cl)NS(=O)(=O)C3=CC=C(C=C3)Cl)C=CC=C2N(C)C
Structure:
CAS RN: 5482-36-0
CAS Name: N-[(2-methoxyphenyl)methyl]-5-nitro-2-pyridinamine
OPENEYE Name: N-[(2-methoxyphenyl)methyl]-5-nitro-pyridin-2-amine
IUPAC Name: N-[(2-methoxyphenyl)methyl]-5-nitropyridin-2-amine
SYSTEMATIC NAME: N-[(2-methoxyphenyl)methyl]-5-nitro-pyridin-2-amine
MOLECULAR FORMULA: C13H13N3O3
MOLECULAR WEIGHT: 259.26062
SMILES: COC1=CC=CC=C1CNC2=NC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 5481-03-8
CAS Name: 4-(3-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-ethoxyethyl ester
OPENEYE Name: 2-ethoxyethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
IUPAC Name: 2-ethoxyethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: 2-ethoxyethyl 4-(3-chlorophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C21H24ClNO4
MOLECULAR WEIGHT: 389.87256
SMILES: CCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Cl)C(=O)CCC2)C
Structure:
CAS RN: 5480-33-1
CAS Name: N,2-bis(1,3-dioxo-2-isoindolyl)acetamide
OPENEYE Name: N,2-bis(1,3-dioxoisoindolin-2-yl)acetamide
IUPAC Name: N,2-bis(1,3-dioxoisoindol-2-yl)acetamide
SYSTEMATIC NAME: N,2-bis[1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide
MOLECULAR FORMULA: C18H11N3O5
MOLECULAR WEIGHT: 349.29704
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NN3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 5479-67-4
CAS Name: 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid cyclopentyl ester
OPENEYE Name: cyclopentyl 4-(3-bromo-4-methoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
IUPAC Name: cyclopentyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: cyclopentyl 4-(3-bromanyl-4-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C23H26BrNO4
MOLECULAR WEIGHT: 460.36084
SMILES: CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC)Br)C(=O)OC4CCCC4
Structure:
CAS RN: 5479-66-3
CAS Name: 4-methoxy-N'-[[4-[4-[[[(4-methoxyphenyl)-oxomethyl]hydrazo]-oxomethyl]phenoxy]phenyl]-oxomethyl]benzohydrazide
OPENEYE Name: 4-methoxy-N'-[4-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]benzoyl]benzohydrazide
IUPAC Name: 4-methoxy-N'-[4-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]benzoyl]benzohydrazide
SYSTEMATIC NAME: 4-methoxy-N'-[4-[4-[[(4-methoxyphenyl)carbonylamino]carbamoyl]phenoxy]phenyl]carbonyl-benzohydrazide
MOLECULAR FORMULA: C30H26N4O7
MOLECULAR WEIGHT: 554.55004
SMILES: COC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)NNC(=O)C4=CC=C(C=C4)OC
Structure:
CAS RN: 5479-59-4
CAS Name: 1-(6-nitro-2,3-dihydroindol-1-yl)-1-octadecanone
OPENEYE Name: 1-(6-nitroindolin-1-yl)octadecan-1-one
IUPAC Name: 1-(6-nitro-2,3-dihydroindol-1-yl)octadecan-1-one
SYSTEMATIC NAME: 1-(6-nitro-2,3-dihydroindol-1-yl)octadecan-1-one
MOLECULAR FORMULA: C26H42N2O3
MOLECULAR WEIGHT: 430.62328
SMILES: CCCCCCCCCCCCCCCCCC(=O)N1CCC2=C1C=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 5479-49-2
CAS Name: N1',N3'-bis[(3,4-dimethoxyphenyl)-oxomethyl]benzene-1,3-dicarbohydrazide
OPENEYE Name: N1',N3'-bis(3,4-dimethoxybenzoyl)benzene-1,3-dicarbohydrazide
IUPAC Name: 1-N',3-N'-bis(3,4-dimethoxybenzoyl)benzene-1,3-dicarbohydrazide
SYSTEMATIC NAME: N1',N3'-bis[(3,4-dimethoxyphenyl)carbonyl]benzene-1,3-dicarbohydrazide
MOLECULAR FORMULA: C26H26N4O8
MOLECULAR WEIGHT: 522.50664
SMILES: COC1=C(C=C(C=C1)C(=O)NNC(=O)C2=CC(=CC=C2)C(=O)NNC(=O)C3=CC(=C(C=C3)OC)OC)OC
Structure:
CAS RN: 5478-85-3
CAS Name: 4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methylpropyl ester
OPENEYE Name: isobutyl 4-(3-bromo-4-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
IUPAC Name: 2-methylpropyl 4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: 2-methylpropyl 4-(3-bromanyl-4-methoxy-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C17H21BrN2O4
MOLECULAR WEIGHT: 397.26364
SMILES: CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)OC)Br)C(=O)OCC(C)C
Structure:
CAS RN: 5478-84-2
CAS Name: 2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid prop-2-enyl ester
OPENEYE Name: allyl 4-(2-isopropoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
IUPAC Name: prop-2-enyl 2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: prop-2-enyl 2-methyl-5-oxidanylidene-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C23H27NO4
MOLECULAR WEIGHT: 381.46478
SMILES: CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3OC(C)C)C(=O)OCC=C
Structure:
CAS RN: 435345-18-9
CAS Name: 1-(4-methoxyphenyl)-N-(phenylmethyl)-3-buten-1-amine
OPENEYE Name: N-benzyl-1-(4-methoxyphenyl)but-3-en-1-amine
IUPAC Name: N-benzyl-1-(4-methoxyphenyl)but-3-en-1-amine
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-N-(phenylmethyl)but-3-en-1-amine
MOLECULAR FORMULA: C18H21NO
MOLECULAR WEIGHT: 267.36544
SMILES: COC1=CC=C(C=C1)C(CC=C)NCC2=CC=CC=C2
Structure:
CAS RN: 5478-48-8
CAS Name: N-(2-adamantyl)-N-(4-bromophenyl)acetamide
OPENEYE Name: N-(2-adamantyl)-N-(4-bromophenyl)acetamide
IUPAC Name: N-(2-adamantyl)-N-(4-bromophenyl)acetamide
SYSTEMATIC NAME: N-(2-adamantyl)-N-(4-bromophenyl)ethanamide
MOLECULAR FORMULA: C18H22BrNO
MOLECULAR WEIGHT: 348.27738
SMILES: CC(=O)N(C1C2CC3CC(C2)CC1C3)C4=CC=C(C=C4)Br
Structure:
CAS RN: 5478-25-1
CAS Name: 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
IUPAC Name: ethyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C19H19Cl2NO3
MOLECULAR WEIGHT: 380.26506
SMILES: CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)Cl)Cl)C(=O)CCC2)C
Structure:
CAS RN: 5478-15-9
CAS Name: 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-phenylethyl ester
OPENEYE Name: 2-phenylethyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
IUPAC Name: 2-phenylethyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: 2-phenylethyl 4-[4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C22H25N3O2S
MOLECULAR WEIGHT: 395.5178
SMILES: CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)N(C)C)C(=O)OCCC3=CC=CC=C3
Structure:
CAS RN: 5477-55-4
CAS Name: 2-amino-3-(1-naphthalenylamino)naphthalene-1,4-dione
OPENEYE Name: 2-amino-3-(1-naphthylamino)naphthalene-1,4-dione
IUPAC Name: 2-amino-3-(naphthalen-1-ylamino)naphthalene-1,4-dione
SYSTEMATIC NAME: 2-azanyl-3-(naphthalen-1-ylamino)naphthalene-1,4-dione
MOLECULAR FORMULA: C20H14N2O2
MOLECULAR WEIGHT: 314.33736
SMILES: C1=CC=C2C(=C1)C=CC=C2NC3=C(C(=O)C4=CC=CC=C4C3=O)N
Structure:
CAS RN: 5477-51-0
CAS Name: 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid prop-2-enyl ester
OPENEYE Name: allyl 4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
IUPAC Name: prop-2-enyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SYSTEMATIC NAME: prop-2-enyl 4-(3-methoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
MOLECULAR FORMULA: C16H18N2O5
MOLECULAR WEIGHT: 318.32452
SMILES: CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)OC)C(=O)OCC=C
Structure:
CAS RN: 5477-47-4
CAS Name: 5-[[3-carboxy-4-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]phenyl]methyl]-2-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]benzoic acid
OPENEYE Name: 5-[[3-carboxy-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
IUPAC Name: 5-[[3-carboxy-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
SYSTEMATIC NAME: 5-[[3-carboxy-4-[2-(3,4-dimethoxyphenyl)ethanoylamino]phenyl]methyl]-2-[2-(3,4-dimethoxyphenyl)ethanoylamino]benzoic acid
MOLECULAR FORMULA: C35H34N2O10
MOLECULAR WEIGHT: 642.65186
SMILES: COC1=C(C=C(C=C1)CC(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)CC4=CC(=C(C=C4)OC)OC)C(=O)O)C(=O)O)OC
Structure:
CAS RN: 4221-47-0
CAS Name: 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propan-2-yl ester
OPENEYE Name: isopropyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
IUPAC Name: propan-2-yl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
SYSTEMATIC NAME: propan-2-yl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate
MOLECULAR FORMULA: C22H26BrNO3
MOLECULAR WEIGHT: 432.35074
SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)Br)C(=O)OC(C)C
Structure:
CAS RN: 5477-30-5
CAS Name: 4-(3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid butyl ester
OPENEYE Name: butyl 4-(3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
IUPAC Name: butyl 4-(3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: butyl 4-(3-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C22H27NO4
MOLECULAR WEIGHT: 369.45408
SMILES: CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)OC)C(=O)CCC2)C
Structure:
CAS RN: 5477-19-0
CAS Name: 4-(4-bromophenyl)-6-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
OPENEYE Name: 4-(4-bromophenyl)-6-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
IUPAC Name: 4-(4-bromophenyl)-6-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SYSTEMATIC NAME: 4-(4-bromophenyl)-6-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
MOLECULAR FORMULA: C19H18BrNO
MOLECULAR WEIGHT: 356.25632
SMILES: COC1=CC=CC2=C1NC(C3C2C=CC3)C4=CC=C(C=C4)Br
Structure:
CAS RN: 5477-18-9
CAS Name: 4-(4-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester
OPENEYE Name: cyclopentyl 4-(4-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
IUPAC Name: cyclopentyl 4-(4-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
SYSTEMATIC NAME: cyclopentyl 4-(4-iodophenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate
MOLECULAR FORMULA: C24H28INO3
MOLECULAR WEIGHT: 505.38849
SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)I)C(=O)OC4CCCC4
Structure:
CAS RN: 5477-12-3
CAS Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-1-phenylmethanesulfonamide
OPENEYE Name: N-[2-(2-chloro-4-nitro-anilino)ethyl]-1-phenyl-methanesulfonamide
IUPAC Name: N-[2-(2-chloro-4-nitroanilino)ethyl]-1-phenylmethanesulfonamide
SYSTEMATIC NAME: N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]-1-phenyl-methanesulfonamide
MOLECULAR FORMULA: C15H16ClN3O4S
MOLECULAR WEIGHT: 369.82324
SMILES: C1=CC=C(C=C1)CS(=O)(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl
Structure:
CAS RN: 137987-37-2
CAS Name: 4-(4-methoxyphenyl)-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
OPENEYE Name: 4-(4-methoxyphenyl)-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
IUPAC Name: 4-(4-methoxyphenyl)-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
SYSTEMATIC NAME: 4-(4-methoxyphenyl)-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
MOLECULAR FORMULA: C18H17N3O2
MOLECULAR WEIGHT: 307.34648
SMILES: COC1=CC=C(C=C1)C2C3=C(CNC3=O)NC4=CC=CC=C4N2
Structure:
CAS RN: 137987-36-1
CAS Name: 4-phenyl-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
OPENEYE Name: 4-phenyl-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
IUPAC Name: 4-phenyl-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
SYSTEMATIC NAME: 4-phenyl-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
MOLECULAR FORMULA: C17H15N3O
MOLECULAR WEIGHT: 277.3205
SMILES: C1C2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)N1
Structure:
CAS RN: 5476-59-5
CAS Name: 4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid butyl ester
OPENEYE Name: butyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
IUPAC Name: butyl 4-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: butyl 4-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C22H27NO4
MOLECULAR WEIGHT: 369.45408
SMILES: CCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OC)C(=O)CCC2)C
Structure:
CAS RN: 109513-19-1
CAS Name: N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine
OPENEYE Name: N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine
IUPAC Name: N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine
SYSTEMATIC NAME: N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine
MOLECULAR FORMULA: C15H25NO
MOLECULAR WEIGHT: 235.3651
SMILES: CCN(CC)CCOC1=C(C=C(C=C1C)C)C
Structure:
CAS RN: 5476-43-7
CAS Name: 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester
OPENEYE Name: methyl 4-(4-hydroxy-3-nitro-phenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
IUPAC Name: methyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: methyl 2-methyl-4-(3-nitro-4-oxidanyl-phenyl)-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C24H22N2O6
MOLECULAR WEIGHT: 434.44128
SMILES: CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)OC
Structure:
CAS RN: 5476-40-4
CAS Name: 1-[3-[5-[3-(1-piperidinyl)prop-1-ynyl]-2,4-dipropoxyphenyl]prop-2-ynyl]piperidine dihydrochloride
OPENEYE Name: 1-[3-[5-[3-(1-piperidyl)prop-1-ynyl]-2,4-dipropoxy-phenyl]prop-2-ynyl]piperidine dihydrochloride
IUPAC Name: 1-[3-[5-(3-piperidin-1-ylprop-1-ynyl)-2,4-dipropoxyphenyl]prop-2-ynyl]piperidine dihydrochloride
SYSTEMATIC NAME: 1-[3-[5-(3-piperidin-1-ylprop-1-ynyl)-2,4-dipropoxy-phenyl]prop-2-ynyl]piperidine dihydrochloride
MOLECULAR FORMULA: C28H42Cl2N2O2
MOLECULAR WEIGHT: 509.55128
SMILES: CCCOC1=CC(=C(C=C1C#CCN2CCCCC2)C#CCN3CCCCC3)OCCC.Cl.Cl
Structure:
CAS RN: 5476-39-1
CAS Name: 4-chloro-N-[2-(2-chloro-4-nitroanilino)ethyl]benzenesulfonamide
OPENEYE Name: 4-chloro-N-[2-(2-chloro-4-nitro-anilino)ethyl]benzenesulfonamide
IUPAC Name: 4-chloro-N-[2-(2-chloro-4-nitroanilino)ethyl]benzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-N-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]benzenesulfonamide
MOLECULAR FORMULA: C14H13Cl2N3O4S
MOLECULAR WEIGHT: 390.24172
SMILES: C1=CC(=CC=C1S(=O)(=O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl
Structure:
CAS RN: 5476-20-0
CAS Name: 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid pentyl ester
OPENEYE Name: pentyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
IUPAC Name: pentyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: pentyl 2-methyl-5-oxidanylidene-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C25H33NO6
MOLECULAR WEIGHT: 443.53262
SMILES: CCCCCOC(=O)C1=C(NC2=C(C1C3=C(C(=C(C=C3)OC)OC)OC)C(=O)CCC2)C
Structure:
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