CAS RN: 6346-62-9
CAS Name: N-[1-[3-[[(2,4-dichlorophenyl)-oxomethyl]amino]phenyl]ethylideneamino]-3-methyl-4-nitrobenzamide
OPENEYE Name: N-[1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]-3-methyl-4-nitro-benzamide
IUPAC Name: N-[1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]-3-methyl-4-nitrobenzamide
SYSTEMATIC NAME: N-[1-[3-[(2,4-dichlorophenyl)carbonylamino]phenyl]ethylideneamino]-3-methyl-4-nitro-benzamide
MOLECULAR FORMULA: C23H18Cl2N4O4
MOLECULAR WEIGHT: 485.31942
SMILES: CC1=C(C=CC(=C1)C(=O)NN=C(C)C2=CC(=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]
Structure:
CAS RN: 5979-22-6
CAS Name: 4-tert-butyl-N-cyclopropyl-N-[2-[4-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
OPENEYE Name: 4-tert-butyl-N-cyclopropyl-N-[2-[4-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxo-ethyl]benzamide
IUPAC Name: 4-tert-butyl-N-cyclopropyl-N-[2-[4-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]benzamide
SYSTEMATIC NAME: 4-tert-butyl-N-cyclopropyl-N-[2-[4-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxidanylidene-ethyl]benzamide
MOLECULAR FORMULA: C35H37N3O4
MOLECULAR WEIGHT: 563.68598
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC(=O)N2C(C3=CC=CN3C4=CC=CC=C42)C5=C(C=CC(=C5)OC)OC)C6CC6
Structure:
CAS RN: 5979-21-5
CAS Name: N-cyclopropyl-N-[2-[4-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-nitrobenzamide
OPENEYE Name: N-cyclopropyl-N-[2-[4-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxo-ethyl]-3-nitro-benzamide
IUPAC Name: N-cyclopropyl-N-[2-[4-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-nitrobenzamide
SYSTEMATIC NAME: N-cyclopropyl-N-[2-[4-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide
MOLECULAR FORMULA: C31H28N4O6
MOLECULAR WEIGHT: 552.57722
SMILES: COC1=CC(=C(C=C1)OC)C2C3=CC=CN3C4=CC=CC=C4N2C(=O)CN(C5CC5)C(=O)C6=CC(=CC=C6)[N+](=O)[O-]
Structure:
CAS RN: 6100-69-2
CAS Name: 4-[3-[(4,4-dimethyl-2-oxo-3-oxolanyl)oxy]-3-oxoprop-1-enyl]benzoic acid [6-[[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]amino]-oxomethyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] ester
OPENEYE Name: [6-[[4-tert-butoxy-1-(hydroxymethyl)-4-oxo-butyl]carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[3-(4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl)oxy-3-oxo-prop-1-enyl]benzoate
IUPAC Name: [6-[[1-hydroxy-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[3-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-3-oxoprop-1-enyl]benzoate
SYSTEMATIC NAME: [6-[[5-[(2-methylpropan-2-yl)oxy]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]carbamoyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl] 4-[3-(4,4-dimethyl-2-oxidanylidene-oxolan-3-yl)oxy-3-oxidanylidene-prop-1-enyl]benzoate
MOLECULAR FORMULA: C33H41NO12
MOLECULAR WEIGHT: 643.67814
SMILES: CC1(COC(=O)C1OC(=O)C=CC2=CC=C(C=C2)C(=O)OC3CC(=CC4C3OCO4)C(=O)NC(CCC(=O)OC(C)(C)C)CO)C
Structure:
CAS RN: 5823-91-6
CAS Name: 6-[[3-chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
OPENEYE Name: 6-[[3-chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxy-phenyl]methylene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
IUPAC Name: 6-[[3-chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SYSTEMATIC NAME: 5-azanylidene-6-[[3-chloranyl-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxy-phenyl]methylidene]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MOLECULAR FORMULA: C29H31ClN4O4S
MOLECULAR WEIGHT: 567.09884
SMILES: CCC1=NN2C(=N)C(=CC3=CC(=C(C(=C3)Cl)OCCOC4=CC=C(C=C4)C5CCCCC5)OC)C(=O)N=C2S1
Structure:
CAS RN: 5627-57-6
CAS Name: 2-nitro-4-(1-pyrrolidinylsulfonyl)-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]aniline
OPENEYE Name: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]aniline
IUPAC Name: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]aniline
SYSTEMATIC NAME: 2-nitro-4-pyrrolidin-1-ylsulfonyl-N-[1-[2,3,4-tris(chloranyl)phenyl]ethylideneamino]aniline
MOLECULAR FORMULA: C18H17Cl3N4O4S
MOLECULAR WEIGHT: 491.77598
SMILES: CC(=NNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])C3=C(C(=C(C=C3)Cl)Cl)Cl
Structure:
CAS RN: 4610-73-5
CAS Name: N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide
OPENEYE Name: N-methyl-N-[(3-oxobenzothiophen-2-ylidene)methyl]propanamide
IUPAC Name: N-methyl-N-[(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide
SYSTEMATIC NAME: N-methyl-N-[(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]propanamide
MOLECULAR FORMULA: C13H13NO2S
MOLECULAR WEIGHT: 247.31282
SMILES: CCC(=O)N(C)C=C1C(=O)C2=CC=CC=C2S1
Structure:
CAS RN: 4610-12-2
CAS Name: 1-butyl-2-methyl-5-(1-oxopentoxy)-3-benzo[g]indolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-butyl-2-methyl-5-pentanoyloxy-benzo[g]indole-3-carboxylate
IUPAC Name: ethyl 1-butyl-2-methyl-5-pentanoyloxybenzo[g]indole-3-carboxylate
SYSTEMATIC NAME: ethyl 1-butyl-2-methyl-5-pentanoyloxy-benzo[g]indole-3-carboxylate
MOLECULAR FORMULA: C25H31NO4
MOLECULAR WEIGHT: 409.51794
SMILES: CCCCC(=O)OC1=CC2=C(C3=CC=CC=C31)N(C(=C2C(=O)OCC)C)CCCC
Structure:
CAS RN: 6828-19-9
CAS Name: N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
OPENEYE Name: N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SYSTEMATIC NAME: N-(3,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide
MOLECULAR FORMULA: C32H29FN2O5
MOLECULAR WEIGHT: 540.581463
SMILES: COC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C(=O)NC5=CC(=C(C=C5)OC)OC
Structure:
CAS RN: 6898-59-5
CAS Name: 4-fluorobenzoic acid [1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] ester
OPENEYE Name: [2-(3-chloro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-fluorobenzoate
IUPAC Name: [1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] 4-fluorobenzoate
SYSTEMATIC NAME: [1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-fluoranylbenzoate
MOLECULAR FORMULA: C17H15ClFNO3
MOLECULAR WEIGHT: 335.757303
SMILES: CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)F)Cl
Structure:
CAS RN: 5325-32-6
CAS Name: 3-[5-(2,3-dichlorophenyl)-2-furanyl]-N-phenyl-2-propenamide
OPENEYE Name: 3-[5-(2,3-dichlorophenyl)-2-furyl]-N-phenyl-prop-2-enamide
IUPAC Name: 3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-phenylprop-2-enamide
SYSTEMATIC NAME: 3-[5-[2,3-bis(chloranyl)phenyl]furan-2-yl]-N-phenyl-prop-2-enamide
MOLECULAR FORMULA: C19H13Cl2NO2
MOLECULAR WEIGHT: 358.21802
SMILES: C1=CC=C(C=C1)NC(=O)C=CC2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl
Structure:
CAS RN: 4522-53-6
CAS Name: 2-hydroxy-N-[2-(phenylmethylene)octylideneamino]benzamide
OPENEYE Name: N-(2-benzylideneoctylideneamino)-2-hydroxy-benzamide
IUPAC Name: N-(2-benzylideneoctylideneamino)-2-hydroxybenzamide
SYSTEMATIC NAME: 2-oxidanyl-N-[2-(phenylmethylidene)octylideneamino]benzamide
MOLECULAR FORMULA: C22H26N2O2
MOLECULAR WEIGHT: 350.45404
SMILES: CCCCCCC(=CC1=CC=CC=C1)C=NNC(=O)C2=CC=CC=C2O
Structure:
CAS RN: 6851-48-5
CAS Name: 6-bromo-2-[5-(4-butan-2-ylphenyl)-2-furanyl]-4-quinolinecarboxylate
OPENEYE Name: 6-bromo-2-[5-(4-sec-butylphenyl)-2-furyl]quinoline-4-carboxylate
IUPAC Name: 6-bromo-2-[5-(4-butan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylate
SYSTEMATIC NAME: 6-bromanyl-2-[5-(4-butan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylate
MOLECULAR FORMULA: C24H19BrNO3-
MOLECULAR WEIGHT: 449.31656
SMILES: CCC(C)C1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-]
Structure:
CAS RN: 6182-99-6
CAS Name: N-[[5-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide
OPENEYE Name: N-[[5-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide
IUPAC Name: N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide
SYSTEMATIC NAME: N-[[5-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide
MOLECULAR FORMULA: C26H24FN5O3S
MOLECULAR WEIGHT: 505.563863
SMILES: CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CNC(=O)C4=CC=CC=C4
Structure:
CAS RN: 6182-38-3
CAS Name: 3,5-dimethoxy-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
OPENEYE Name: 3,5-dimethoxy-N-[[4-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]benzamide
IUPAC Name: 3,5-dimethoxy-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
SYSTEMATIC NAME: 3,5-dimethoxy-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
MOLECULAR FORMULA: C19H20N4O3S
MOLECULAR WEIGHT: 384.4521
SMILES: CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=CC(=CC(=C3)OC)OC
Structure:
CAS RN: 6396-56-1
CAS Name: N-(5-methyl-2-thiazolyl)-3-(4-nitrophenyl)-2-propenamide
OPENEYE Name: N-(5-methylthiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
IUPAC Name: N-(5-methyl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
SYSTEMATIC NAME: N-(5-methyl-1,3-thiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide
MOLECULAR FORMULA: C13H11N3O3S
MOLECULAR WEIGHT: 289.30974
SMILES: CC1=CN=C(S1)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 6301-90-2
CAS Name: 3-bromo-5-(4-bromophenyl)-N-(1-phenylethyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
OPENEYE Name: 3-bromo-5-(4-bromophenyl)-N-(1-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
IUPAC Name: 3-bromo-5-(4-bromophenyl)-N-(1-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SYSTEMATIC NAME: 3-bromanyl-5-(4-bromophenyl)-N-(1-phenylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
MOLECULAR FORMULA: C22H15Br2F3N4O
MOLECULAR WEIGHT: 568.18391
SMILES: CC(C1=CC=CC=C1)NC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=C(C=C4)Br)C(F)(F)F
Structure:
CAS RN: 5269-52-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H26N4O3
MOLECULAR WEIGHT: 466.53104
SMILES: CC1(CC2=C(C(C3=C(O2)N=CN4C3=NC(=N4)CC5=CC=CC=C5)C6=CC=C(C=C6)OC)C(=O)C1)C
Structure:
CAS RN: 5264-61-9
CAS Name: dioxomolybdenum; dioxomolybdenum(2+); N'-[methanidyl-[(3-methoxy-2-oxonio-5-phenyldiazenylphenyl)methylidene]ammonio]carbamimidothioate; N'-[(3-methoxy-2-oxonio-5-phenyldiazenylphenyl)methylideneamino]carbamimidothioate
OPENEYE Name: dioxomolybdenum; dioxomolybdenum(2+); N'-[methanidyl-[(3-methoxy-2-oxonio-5-phenylazo-phenyl)methylene]ammonio]carbamimidothioate; N'-[(3-methoxy-2-oxonio-5-phenylazo-phenyl)methyleneamino]carbamimidothioate
IUPAC Name: dioxomolybdenum; dioxomolybdenum(2+); N'-[methanidyl-[(3-methoxy-2-oxonio-5-phenyldiazenylphenyl)methylidene]azaniumyl]carbamimidothioate; N'-[(3-methoxy-2-oxonio-5-phenyldiazenylphenyl)methylideneamino]carbamimidothioate
SYSTEMATIC NAME: bis(oxidanylidene)molybdenum; bis(oxidanylidene)molybdenum(2+); N'-[methanidyl-[(3-methoxy-2-oxidaniumyl-5-phenyldiazenyl-phenyl)methylidene]azaniumyl]carbamimidothioate; N'-[(3-methoxy-2-oxidaniumyl-5-phenyldiazenyl-phenyl)methylideneamino]carbamimidothi
MOLECULAR FORMULA: C31H32Mo2N10O8S2+2
MOLECULAR WEIGHT: 928.65798
SMILES: COC1=C(C(=CC(=C1)N=NC2=CC=CC=C2)C=NN=C(N)[S-])[OH2+].COC1=C(C(=CC(=C1)N=NC2=CC=CC=C2)C=[N+]([CH2-])N=C(N)[S-])[OH2+].O=[Mo]=O.O=[Mo+2]=O
Structure:
CAS RN: 6898-58-4
CAS Name: 3-chlorobenzoic acid [1-(2,3-dimethylanilino)-1-oxopropan-2-yl] ester
OPENEYE Name: [2-(2,3-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-chlorobenzoate
IUPAC Name: [1-(2,3-dimethylanilino)-1-oxopropan-2-yl] 3-chlorobenzoate
SYSTEMATIC NAME: [1-[(2,3-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-chloranylbenzoate
MOLECULAR FORMULA: C18H18ClNO3
MOLECULAR WEIGHT: 331.79342
SMILES: CC1=C(C(=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)Cl)C
Structure:
CAS RN: 6385-79-1
CAS Name: 5-carbamoyl-2-[[(4-methoxyphenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-carbamoyl-2-[(4-methoxybenzoyl)amino]-4-methyl-thiophene-3-carboxylate
IUPAC Name: ethyl 5-carbamoyl-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 5-aminocarbonyl-2-[(4-methoxyphenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C17H18N2O5S
MOLECULAR WEIGHT: 362.40022
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=CC=C(C=C2)OC
Structure:
CAS RN: 6380-88-7
CAS Name: N-nonyl-2-phenoxyacetamide
OPENEYE Name: N-nonyl-2-phenoxy-acetamide
IUPAC Name: N-nonyl-2-phenoxyacetamide
SYSTEMATIC NAME: N-nonyl-2-phenoxy-ethanamide
MOLECULAR FORMULA: C17H27NO2
MOLECULAR WEIGHT: 277.40178
SMILES: CCCCCCCCCNC(=O)COC1=CC=CC=C1
Structure:
CAS RN: 5735-32-0
CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester
OPENEYE Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate
IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
SYSTEMATIC NAME: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate
MOLECULAR FORMULA: C27H25ClN2O3S
MOLECULAR WEIGHT: 493.017
SMILES: CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl
Structure:
CAS RN: 2640-58-6
CAS Name: 5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid
OPENEYE Name: 5-amino-2-(benzyloxycarbonylamino)pentanoic acid
IUPAC Name: 5-amino-2-(phenylmethoxycarbonylamino)pentanoic acid
SYSTEMATIC NAME: 5-azanyl-2-(phenylmethoxycarbonylamino)pentanoic acid
MOLECULAR FORMULA: C13H18N2O4
MOLECULAR WEIGHT: 266.29302
SMILES: C1=CC=C(C=C1)COC(=O)NC(CCCN)C(=O)O
Structure:
CAS RN: 4518-85-8
CAS Name: 2-(2-ethylphenyl)sulfonyl-1,4-dimethylbenzene
OPENEYE Name: 2-(2-ethylphenyl)sulfonyl-1,4-dimethyl-benzene
IUPAC Name: 2-(2-ethylphenyl)sulfonyl-1,4-dimethylbenzene
SYSTEMATIC NAME: 2-(2-ethylphenyl)sulfonyl-1,4-dimethyl-benzene
MOLECULAR FORMULA: C16H18O2S
MOLECULAR WEIGHT: 274.37792
SMILES: CCC1=CC=CC=C1S(=O)(=O)C2=C(C=CC(=C2)C)C
Structure:
CAS RN: 6649-30-5
CAS Name: 4-(1-azepanyl)-1-(2,5-diphenyl-4-oxazolyl)-2-pyrimidinone
OPENEYE Name: 4-(azepan-1-yl)-1-(2,5-diphenyloxazol-4-yl)pyrimidin-2-one
IUPAC Name: 4-(azepan-1-yl)-1-(2,5-diphenyl-1,3-oxazol-4-yl)pyrimidin-2-one
SYSTEMATIC NAME: 4-(azepan-1-yl)-1-(2,5-diphenyl-1,3-oxazol-4-yl)pyrimidin-2-one
MOLECULAR FORMULA: C25H24N4O2
MOLECULAR WEIGHT: 412.48366
SMILES: C1CCCN(CC1)C2=NC(=O)N(C=C2)C3=C(OC(=N3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 5825-49-0
CAS Name: 5-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxyphenyl]methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxy-phenyl]methylene]-1-(4-chlorophenyl)hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxyphenyl]methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[[4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxy-phenyl]methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C31H31ClN2O6
MOLECULAR WEIGHT: 563.04064
SMILES: CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Cl)OCCOC4=CC=C(C=C4)C(C)(C)C
Structure:
CAS RN: 5536-04-9
CAS Name: 2-cyano-3-[1-(4-cyclohexylphenyl)-2,5-dimethyl-3-pyrrolyl]-N-(2-fluorophenyl)-2-propenamide
OPENEYE Name: 2-cyano-3-[1-(4-cyclohexylphenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(2-fluorophenyl)prop-2-enamide
IUPAC Name: 2-cyano-3-[1-(4-cyclohexylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-fluorophenyl)prop-2-enamide
SYSTEMATIC NAME: 2-cyano-3-[1-(4-cyclohexylphenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(2-fluorophenyl)prop-2-enamide
MOLECULAR FORMULA: C28H28FN3O
MOLECULAR WEIGHT: 441.539823
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)C3CCCCC3)C)C=C(C#N)C(=O)NC4=CC=CC=C4F
Structure:
CAS RN: 6395-47-7
CAS Name: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
OPENEYE Name: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
SYSTEMATIC NAME: 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)heptanamide
MOLECULAR FORMULA: C7H3F12NO
MOLECULAR WEIGHT: 345.085658
SMILES: C(C(C(C(C(C(C(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 5478-70-6
CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-[(9-ethyl-3-carbazolyl)amino]-2-oxoethyl] ester
OPENEYE Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate
IUPAC Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C27H25N3O3
MOLECULAR WEIGHT: 439.5057
SMILES: CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)CCC3=CNC4=CC=CC=C43)C5=CC=CC=C51
Structure:
CAS RN: 4662-10-6
CAS Name: 4-(4-ethoxyanilino)-2-methyl-5-oxo-1-phenyl-2-pyrrolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(4-ethoxyanilino)-2-methyl-5-oxo-1-phenyl-pyrrole-2-carboxylate
IUPAC Name: ethyl 4-(4-ethoxyanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 4-[(4-ethoxyphenyl)amino]-2-methyl-5-oxidanylidene-1-phenyl-pyrrole-2-carboxylate
MOLECULAR FORMULA: C22H24N2O4
MOLECULAR WEIGHT: 380.43696
SMILES: CCOC1=CC=C(C=C1)NC2=CC(N(C2=O)C3=CC=CC=C3)(C)C(=O)OCC
Structure:
CAS RN: 4658-42-8
CAS Name: 5-[[2-[4-(2-hydroxyethyl)-1-piperazinyl]-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]methylidene]-3-(3-methylbutyl)-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-3-isopentyl-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(3-methylbutyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(3-methylbutyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C24H31N5O3S2
MOLECULAR WEIGHT: 501.66464
SMILES: CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC(C)C)N4CCN(CC4)CCO
Structure:
CAS RN: 5934-97-4
CAS Name: 3,5,5-trimethyl-N-[[1-(phenylmethyl)-2-pyrrolyl]methyl]-N-propan-2-ylhexanamide
OPENEYE Name: N-[(1-benzylpyrrol-2-yl)methyl]-N-isopropyl-3,5,5-trimethyl-hexanamide
IUPAC Name: N-[(1-benzylpyrrol-2-yl)methyl]-3,5,5-trimethyl-N-propan-2-ylhexanamide
SYSTEMATIC NAME: 3,5,5-trimethyl-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]-N-propan-2-yl-hexanamide
MOLECULAR FORMULA: C24H36N2O
MOLECULAR WEIGHT: 368.55544
SMILES: CC(C)N(CC1=CC=CN1CC2=CC=CC=C2)C(=O)CC(C)CC(C)(C)C
Structure:
CAS RN: 5934-36-1
CAS Name: N-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-2-phenyl-N-propan-2-ylethenesulfonamide
OPENEYE Name: N-isopropyl-N-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-2-phenyl-ethenesulfonamide
IUPAC Name: N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenyl-N-propan-2-ylethenesulfonamide
SYSTEMATIC NAME: N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenyl-N-propan-2-yl-ethenesulfonamide
MOLECULAR FORMULA: C24H28N2O2S
MOLECULAR WEIGHT: 408.55632
SMILES: CC1=CC(=CC=C1)CN2C=CC=C2CN(C(C)C)S(=O)(=O)C=CC3=CC=CC=C3
Structure:
CAS RN: 56805-20-0
CAS Name: 5-propan-2-yl-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 5-isopropyl-2-thioxo-imidazolidin-4-one
IUPAC Name: 5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 5-propan-2-yl-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C6H10N2OS
MOLECULAR WEIGHT: 158.2214
SMILES: CC(C)C1C(=O)NC(=S)N1
Structure:
CAS RN: 6901-51-5
CAS Name: 3-(2-ethoxyphenyl)-N-(3-nitrophenyl)-2-propenamide
OPENEYE Name: 3-(2-ethoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
IUPAC Name: 3-(2-ethoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
SYSTEMATIC NAME: 3-(2-ethoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
MOLECULAR FORMULA: C17H16N2O4
MOLECULAR WEIGHT: 312.31994
SMILES: CCOC1=CC=CC=C1C=CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
Structure:
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