CAS RN: 6431-57-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22N4O4
MOLECULAR WEIGHT: 370.40238
SMILES: CCOCCCN1C2=C(C=C(C1=N)C(=O)OC)C(=O)N3C=CC=C(C3=N2)C
Structure:
CAS RN: 6012-39-1
CAS Name: N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide
OPENEYE Name: N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxo-ethyl]-N-isopropyl-2-phenyl-butanamide
IUPAC Name: N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide
SYSTEMATIC NAME: N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxidanylidene-ethyl]-2-phenyl-N-propan-2-yl-butanamide
MOLECULAR FORMULA: C34H41N3O3
MOLECULAR WEIGHT: 539.70764
SMILES: CCC(C1=CC=CC=C1)C(=O)N(CC(=O)N(CCC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)OCC)C(C)C
Structure:
CAS RN: 6782-16-7
CAS Name: 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methoxyethyl)pentanamide
OPENEYE Name: 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methoxyethyl)pentanamide
IUPAC Name: 5-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methoxyethyl)pentanamide
SYSTEMATIC NAME: 5-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-N-(2-methoxyethyl)pentanamide
MOLECULAR FORMULA: C16H21N3O4
MOLECULAR WEIGHT: 319.35564
SMILES: COCCNC(=O)CCCCN1C(=O)C2=CC=CC=C2NC1=O
Structure:
CAS RN: 4640-25-9
CAS Name: N-[1-(1-azepanyl)-3-methyl-1-oxobutan-2-yl]-2-benzamidobenzamide
OPENEYE Name: N-[1-(azepane-1-carbonyl)-2-methyl-propyl]-2-benzamido-benzamide
IUPAC Name: N-[1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-benzamidobenzamide
SYSTEMATIC NAME: N-[1-(azepan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-2-benzamido-benzamide
MOLECULAR FORMULA: C25H31N3O3
MOLECULAR WEIGHT: 421.53194
SMILES: CC(C)C(C(=O)N1CCCCCC1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3
Structure:
CAS RN: 4684-59-7
CAS Name: 4-[2-(phenylmethylene)hydrazinyl]phenol
OPENEYE Name: 4-(2-benzylidenehydrazino)phenol
IUPAC Name: 4-(2-benzylidenehydrazinyl)phenol
SYSTEMATIC NAME: 4-[2-(phenylmethylidene)hydrazinyl]phenol
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: C1=CC=C(C=C1)C=NNC2=CC=C(C=C2)O
Structure:
CAS RN: 4673-45-4
CAS Name: 1-(4-methoxyphenyl)-N-(2-phenylethyl)methanimine
OPENEYE Name: 1-(4-methoxyphenyl)-N-(2-phenylethyl)methanimine
IUPAC Name: 1-(4-methoxyphenyl)-N-(2-phenylethyl)methanimine
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-N-(2-phenylethyl)methanimine
MOLECULAR FORMULA: C16H17NO
MOLECULAR WEIGHT: 239.31228
SMILES: COC1=CC=C(C=C1)C=NCCC2=CC=CC=C2
Structure:
CAS RN: 4669-77-6
CAS Name: 9-[2-(1-benzotriazolyl)-1,3-diphenylpropan-2-yl]carbazole
OPENEYE Name: 9-[1-(benzotriazol-1-yl)-1-benzyl-2-phenyl-ethyl]carbazole
IUPAC Name: 9-[2-(benzotriazol-1-yl)-1,3-diphenylpropan-2-yl]carbazole
SYSTEMATIC NAME: 9-[2-(benzotriazol-1-yl)-1,3-diphenyl-propan-2-yl]carbazole
MOLECULAR FORMULA: C33H26N4
MOLECULAR WEIGHT: 478.58634
SMILES: C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(N3C4=CC=CC=C4C5=CC=CC=C53)N6C7=CC=CC=C7N=N6
Structure:
CAS RN: 4669-16-3
CAS Name: N-(1-benzotriazolylmethyl)cyclopentanamine
OPENEYE Name: N-(benzotriazol-1-ylmethyl)cyclopentanamine
IUPAC Name: N-(benzotriazol-1-ylmethyl)cyclopentanamine
SYSTEMATIC NAME: N-(benzotriazol-1-ylmethyl)cyclopentanamine
MOLECULAR FORMULA: C12H16N4
MOLECULAR WEIGHT: 216.28224
SMILES: C1CCC(C1)NCN2C3=CC=CC=C3N=N2
Structure:
CAS RN: 6272-85-1
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide
OPENEYE Name: 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide
IUPAC Name: 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide
SYSTEMATIC NAME: 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide
MOLECULAR FORMULA: C22H20N4O6S
MOLECULAR WEIGHT: 468.4824
SMILES: CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O
Structure:
CAS RN: 6272-83-9
CAS Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-furancarboxamide
OPENEYE Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]furan-2-carboxamide
IUPAC Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]furan-2-carboxamide
SYSTEMATIC NAME: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]furan-2-carboxamide
MOLECULAR FORMULA: C16H15N3O5S
MOLECULAR WEIGHT: 361.3724
SMILES: CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CO3
Structure:
CAS RN: 4678-41-5
CAS Name: N-[1-(4-fluorophenyl)-3-(4-iodoanilino)-3-oxoprop-1-en-2-yl]-2-furancarboxamide
OPENEYE Name: N-[2-(4-fluorophenyl)-1-[(4-iodophenyl)carbamoyl]vinyl]furan-2-carboxamide
IUPAC Name: N-[1-(4-fluorophenyl)-3-(4-iodoanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[1-(4-fluorophenyl)-3-[(4-iodophenyl)amino]-3-oxidanylidene-prop-1-en-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C20H14FIN2O3
MOLECULAR WEIGHT: 476.239633
SMILES: C1=COC(=C1)C(=O)NC(=CC2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)I
Structure:
CAS RN: 6212-79-9
CAS Name: 5-[2,6-dimethyl-1-(2-phenylethyl)-4-pyridinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-[2,6-dimethyl-1-(2-phenylethyl)-4-pyridylidene]-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-[2,6-dimethyl-1-(2-phenylethyl)pyridin-4-ylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-[2,6-dimethyl-1-(2-phenylethyl)pyridin-4-ylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C19H19N3O2S
MOLECULAR WEIGHT: 353.43806
SMILES: CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(N1CCC3=CC=CC=C3)C
Structure:
CAS RN: 6596-36-7
CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]acetamide
OPENEYE Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-acetamide
IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
SYSTEMATIC NAME: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C23H17ClF3N3O2S
MOLECULAR WEIGHT: 491.91319
SMILES: COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl
Structure:
CAS RN: 6593-91-5
CAS Name: 2,3-dimethylbenzoic acid (1-methyl-3-piperidinyl) ester
OPENEYE Name: (1-methyl-3-piperidyl) 2,3-dimethylbenzoate
IUPAC Name: (1-methylpiperidin-3-yl) 2,3-dimethylbenzoate
SYSTEMATIC NAME: (1-methylpiperidin-3-yl) 2,3-dimethylbenzoate
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: CC1=CC=CC(=C1C)C(=O)OC2CCCN(C2)C
Structure:
CAS RN: 6113-11-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H48N2O6
MOLECULAR WEIGHT: 640.80822
SMILES: CC12CCC(CC13C=CC4(C2CCC5(C4CCC5(CN(CC6CCCO6)C(=O)NC7=CC=CC=C7)O)C)C(=C3)C(=O)C8=CC=CO8)O
Structure:
CAS RN: 6772-67-4
CAS Name: N-(2-furanylmethyl)-1-(3,4,5-trimethoxyphenyl)-5-benzimidazolecarboxamide
OPENEYE Name: N-(2-furylmethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
IUPAC Name: N-(furan-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
MOLECULAR FORMULA: C22H21N3O5
MOLECULAR WEIGHT: 407.41924
SMILES: COC1=CC(=CC(=C1OC)OC)N2C=NC3=C2C=CC(=C3)C(=O)NCC4=CC=CO4
Structure:
CAS RN: 6168-11-2
CAS Name: N-(3-bicyclo[2.2.1]heptanyl)-2-(N-methylsulfonylanilino)acetamide
OPENEYE Name: 2-(N-methylsulfonylanilino)-N-norbornan-2-yl-acetamide
IUPAC Name: N-(3-bicyclo[2.2.1]heptanyl)-2-(N-methylsulfonylanilino)acetamide
SYSTEMATIC NAME: N-(3-bicyclo[2.2.1]heptanyl)-2-[methylsulfonyl(phenyl)amino]ethanamide
MOLECULAR FORMULA: C16H22N2O3S
MOLECULAR WEIGHT: 322.42248
SMILES: CS(=O)(=O)N(CC(=O)NC1CC2CCC1C2)C3=CC=CC=C3
Structure:
CAS RN: 4856-79-5
CAS Name: 3-(1,3-benzodioxol-5-yl)-5-[(2,3-dimethoxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 3-(1,3-benzodioxol-5-yl)-5-[(2,3-dimethoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-[(2,3-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-yl)-5-[(2,3-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C19H15NO5S2
MOLECULAR WEIGHT: 401.4561
SMILES: COC1=CC=CC(=C1OC)C=C2C(=O)N(C(=S)S2)C3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 4856-18-2
CAS Name: 3-(3-chloro-4-methylphenyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 3-(3-chloro-4-methyl-phenyl)-5-[(3-hydroxyphenyl)methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: 3-(3-chloro-4-methylphenyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 3-(3-chloranyl-4-methyl-phenyl)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C17H12ClNO2S2
MOLECULAR WEIGHT: 361.86568
SMILES: CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=CC=C3)O)SC2=S)Cl
Structure:
CAS RN: 6662-92-6
CAS Name: 2-[(triphenylmethyl)amino]acetic acid (triphenylmethyl) ester
OPENEYE Name: trityl 2-(tritylamino)acetate
IUPAC Name: trityl 2-(tritylamino)acetate
SYSTEMATIC NAME: (triphenylmethyl) 2-[(triphenylmethyl)amino]ethanoate
MOLECULAR FORMULA: C40H33NO2
MOLECULAR WEIGHT: 559.69552
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NCC(=O)OC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 2350-43-8
CAS Name: [4-[4-(hydroxymethyl)phenoxy]phenyl]methanol
OPENEYE Name: [4-[4-(hydroxymethyl)phenoxy]phenyl]methanol
IUPAC Name: [4-[4-(hydroxymethyl)phenoxy]phenyl]methanol
SYSTEMATIC NAME: [4-[4-(hydroxymethyl)phenoxy]phenyl]methanol
MOLECULAR FORMULA: C14H14O3
MOLECULAR WEIGHT: 230.25916
SMILES: C1=CC(=CC=C1CO)OC2=CC=C(C=C2)CO
Structure:
CAS RN: 6662-31-3
CAS Name: [4-[4-(hydroxymethyl)phenoxy]phenyl]methanol
OPENEYE Name: [4-[4-(hydroxymethyl)phenoxy]phenyl]methanol
IUPAC Name: [4-[4-(hydroxymethyl)phenoxy]phenyl]methanol
SYSTEMATIC NAME: [4-[4-(hydroxymethyl)phenoxy]phenyl]methanol
MOLECULAR FORMULA: C14H14O3
MOLECULAR WEIGHT: 230.25916
SMILES: C1=CC(=CC=C1CO)OC2=CC=C(C=C2)CO
Structure:
CAS RN: 6234-30-6
CAS Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide
OPENEYE Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide
IUPAC Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide
SYSTEMATIC NAME: 4-[bis(2-methoxyethyl)sulfamoyl]-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide
MOLECULAR FORMULA: C21H24N4O7S2
MOLECULAR WEIGHT: 508.56786
SMILES: CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCOC)CCOC
Structure:
CAS RN: 6415-85-6
CAS Name: N-[[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-4-tert-butylbenzamide
OPENEYE Name: N-[[3-(4-acetamidoanilino)-1-methyl-3-oxo-propylidene]amino]-4-tert-butyl-benzamide
IUPAC Name: N-[[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-4-tert-butylbenzamide
SYSTEMATIC NAME: N-[[4-[(4-acetamidophenyl)amino]-4-oxidanylidene-butan-2-ylidene]amino]-4-tert-butyl-benzamide
MOLECULAR FORMULA: C23H28N4O3
MOLECULAR WEIGHT: 408.49342
SMILES: CC(=NNC(=O)C1=CC=C(C=C1)C(C)(C)C)CC(=O)NC2=CC=C(C=C2)NC(=O)C
Structure:
CAS RN: 6410-33-9
CAS Name: 2-(8-quinolinyloxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
OPENEYE Name: 2-(8-quinolyloxy)-N-[(2,4,5-trimethoxyphenyl)methyleneamino]propanamide
IUPAC Name: 2-quinolin-8-yloxy-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
SYSTEMATIC NAME: 2-quinolin-8-yloxy-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
MOLECULAR FORMULA: C22H23N3O5
MOLECULAR WEIGHT: 409.43512
SMILES: CC(C(=O)NN=CC1=CC(=C(C=C1OC)OC)OC)OC2=CC=CC3=C2N=CC=C3
Structure:
CAS RN: 6745-81-9
CAS Name: N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine
OPENEYE Name: N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC Name: N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
MOLECULAR FORMULA: C18H13Cl2N5O
MOLECULAR WEIGHT: 386.23472
SMILES: COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC(=C(C=C4)Cl)Cl
Structure:
CAS RN: 6489-87-8
CAS Name: 2-[(2,4-dioxo-5-thiazolidinylidene)methyl]benzoic acid
OPENEYE Name: 2-[(2,4-dioxothiazolidin-5-ylidene)methyl]benzoic acid
IUPAC Name: 2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
SYSTEMATIC NAME: 2-[[2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
MOLECULAR FORMULA: C11H7NO4S
MOLECULAR WEIGHT: 249.24258
SMILES: C1=CC=C(C(=C1)C=C2C(=O)NC(=O)S2)C(=O)O
Structure:
CAS RN: 6054-25-7
CAS Name: 6-(5-chloro-2-hydroxyphenyl)-2,8-diethyl-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 6-(5-chloro-2-hydroxy-phenyl)-2,8-diethyl-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 6-(5-chloro-2-hydroxyphenyl)-2,8-diethyl-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 6-(5-chloranyl-2-oxidanyl-phenyl)-2,8-diethyl-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C24H25ClN2O5
MOLECULAR WEIGHT: 456.9187
SMILES: CCN1C(=O)C2CC=C3C(C2C1=O)CC4C(C3C5=C(C=CC(=C5)Cl)O)C(=O)N(C4=O)CC
Structure:
CAS RN: 6051-80-5
CAS Name: 2-(phenylmethoxycarbonylamino)-4-pentenoic acid [2-[[2-[2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-1-oxopent-4-enyl]amino]-3-methoxy-1-phenylpropyl] ester
OPENEYE Name: [2-[2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]pent-4-enoylamino]-3-methoxy-1-phenyl-propyl] 2-(benzyloxycarbonylamino)pent-4-enoate
IUPAC Name: [2-[2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pent-4-enoylamino]-3-methoxy-1-phenylpropyl] 2-(phenylmethoxycarbonylamino)pent-4-enoate
SYSTEMATIC NAME: [2-[2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]pent-4-enoylamino]-3-methoxy-1-phenyl-propyl] 2-(phenylmethoxycarbonylamino)pent-4-enoate
MOLECULAR FORMULA: C35H45N3O8
MOLECULAR WEIGHT: 635.7471
SMILES: COCC(C(C1=CC=CC=C1)OC(=O)C(CC=C)NC(=O)OCC2=CC=CC=C2)NC(=O)C(CC=C)CC(=O)N3CCCC3CO
Structure:
CAS RN: 6047-51-4
CAS Name: 4-methylbenzenesulfonic acid 2,3-dihydroxypropyl ester
OPENEYE Name: 2,3-dihydroxypropyl 4-methylbenzenesulfonate
IUPAC Name: 2,3-dihydroxypropyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C10H14O5S
MOLECULAR WEIGHT: 246.28016
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(CO)O
Structure:
CAS RN: 4568-51-8
CAS Name: pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-(8-methoxy-4-methyl-6-oxo-3-benzo[c][1]benzopyranyl) ester
OPENEYE Name: O1-tert-butyl O2-(8-methoxy-4-methyl-6-oxo-benzo[c]chromen-3-yl) pyrrolidine-1,2-dicarboxylate
IUPAC Name: 1-O-tert-butyl 2-O-(8-methoxy-4-methyl-6-oxobenzo[c]chromen-3-yl) pyrrolidine-1,2-dicarboxylate
SYSTEMATIC NAME: O1-tert-butyl O2-(8-methoxy-4-methyl-6-oxidanylidene-benzo[c]chromen-3-yl) pyrrolidine-1,2-dicarboxylate
MOLECULAR FORMULA: C25H27NO7
MOLECULAR WEIGHT: 453.48438
SMILES: CC1=C(C=CC2=C1OC(=O)C3=C2C=CC(=C3)OC)OC(=O)C4CCCN4C(=O)OC(C)(C)C
Structure:
CAS RN: 7226-39-3
CAS Name: cobalt(3+); 1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one; 1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one; 2-piperidin-1-idylmethanol; 2H-pyridin-1-id-6-ylmethanol
OPENEYE Name: cobaltic; 1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one; 1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one; piperidin-1-id-2-ylmethanol; 2H-pyridin-1-id-6-ylmethanol
IUPAC Name: cobalt(3+); 1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one; 1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one; piperidin-1-id-2-ylmethanol; 2H-pyridin-1-id-6-ylmethanol
SYSTEMATIC NAME: 1,1-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-2-id-3-one; 1,1-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one; cobalt(3+); piperidin-1-id-2-ylmethanol; 2H-pyridin-1-id-6-ylmethanol
MOLECULAR FORMULA: C26H41CoN4O8S2
MOLECULAR WEIGHT: 660.68894
SMILES: C1CCC2C(C1)C(=O)NS2(=O)=O.C1CCC2C(C1)C(=O)[N-]S2(=O)=O.C1CC[N-]C(C1)CO.C1C=CC=C([N-]1)CO.[Co+3]
Structure:
CAS RN: 4629-76-9
CAS Name: 2-[(3,4-dichlorophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid prop-2-enyl ester
OPENEYE Name: allyl 2-[(3,4-dichlorophenyl)methylene]-7-methyl-3-oxo-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
IUPAC Name: prop-2-enyl 2-[(3,4-dichlorophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: prop-2-enyl 2-[(3,4-dichlorophenyl)methylidene]-7-methyl-3-oxidanylidene-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C24H18Cl2N2O3S
MOLECULAR WEIGHT: 485.38232
SMILES: CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)SC2=N1)C4=CC=CC=C4)C(=O)OCC=C
Structure:
CAS RN: 6345-15-9
CAS Name: N-[4-[1-[[(2-bromophenyl)-oxomethyl]hydrazinylidene]ethyl]phenyl]-2,4-dichlorobenzamide
OPENEYE Name: N-[4-[N-[(2-bromobenzoyl)amino]-C-methyl-carbonimidoyl]phenyl]-2,4-dichloro-benzamide
IUPAC Name: N-[4-[N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-2,4-dichlorobenzamide
SYSTEMATIC NAME: N-[4-[N-[(2-bromophenyl)carbonylamino]-C-methyl-carbonimidoyl]phenyl]-2,4-bis(chloranyl)benzamide
MOLECULAR FORMULA: C22H16BrCl2N3O2
MOLECULAR WEIGHT: 505.19134
SMILES: CC(=NNC(=O)C1=CC=CC=C1Br)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl
Structure:
CAS RN: 6401-92-9
CAS Name: 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
OPENEYE Name: 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
IUPAC Name: 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C16H17NO2
MOLECULAR WEIGHT: 255.31168
SMILES: CC1=CC(=C(C=C1)C)N2C(=O)C3CC=CCC3C2=O
Structure:
CAS RN: 6401-31-6
CAS Name: 4-ethoxy-N-(pyridin-4-ylmethylideneamino)benzamide
OPENEYE Name: 4-ethoxy-N-(4-pyridylmethyleneamino)benzamide
IUPAC Name: 4-ethoxy-N-(pyridin-4-ylmethylideneamino)benzamide
SYSTEMATIC NAME: 4-ethoxy-N-(pyridin-4-ylmethylideneamino)benzamide
MOLECULAR FORMULA: C15H15N3O2
MOLECULAR WEIGHT: 269.2985
SMILES: CCOC1=CC=C(C=C1)C(=O)NN=CC2=CC=NC=C2
Structure:
CAS RN: 6752-54-1
CAS Name: N-[[2-[2-(5-nitro-2-tetrazolyl)-1-oxoethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide
OPENEYE Name: N-[[2-[2-(5-nitrotetrazol-2-yl)acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide
IUPAC Name: N-[[2-[2-(5-nitrotetrazol-2-yl)acetyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide
SYSTEMATIC NAME: N-[[2-[2-(5-nitro-1,2,3,4-tetrazol-2-yl)ethanoyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]cyclohexanecarboxamide
MOLECULAR FORMULA: C20H25N7O4
MOLECULAR WEIGHT: 427.457
SMILES: C1CCC(CC1)C(=O)NCC2C3=CC=CC=C3CCN2C(=O)CN4N=C(N=N4)[N+](=O)[O-]
Structure:
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