CAS RN: 6212-26-6
CAS Name: 4-[4-[[(1,3-dioxo-5-isoindolyl)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-[4-[(1,3-dioxoisoindolin-5-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
IUPAC Name: ethyl 4-[4-[(1,3-dioxoisoindol-5-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
SYSTEMATIC NAME: ethyl 4-[4-[[1,3-bis(oxidanylidene)isoindol-5-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
MOLECULAR FORMULA: C22H22N4O7S
MOLECULAR WEIGHT: 486.49768
SMILES: CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)C(=O)NC4=O
Structure:
CAS RN: 6203-60-7
CAS Name: 1-[4-(4-morpholinyl)-3-nitrophenyl]piperidine-2,6-dione
OPENEYE Name: 1-(4-morpholino-3-nitro-phenyl)piperidine-2,6-dione
IUPAC Name: 1-(4-morpholin-4-yl-3-nitrophenyl)piperidine-2,6-dione
SYSTEMATIC NAME: 1-(4-morpholin-4-yl-3-nitro-phenyl)piperidine-2,6-dione
MOLECULAR FORMULA: C15H17N3O5
MOLECULAR WEIGHT: 319.31258
SMILES: C1CC(=O)N(C(=O)C1)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]
Structure:
CAS RN: 4981-07-1
CAS Name: 5-(2-phenylmethoxy-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
OPENEYE Name: 5-(2-benzyloxy-5-isopropyl-phenyl)-1H-pyrazol-3-amine
IUPAC Name: 5-(2-phenylmethoxy-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
SYSTEMATIC NAME: 5-(2-phenylmethoxy-5-propan-2-yl-phenyl)-1H-pyrazol-3-amine
MOLECULAR FORMULA: C19H21N3O
MOLECULAR WEIGHT: 307.38954
SMILES: CC(C)C1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=CC(=NN3)N
Structure:
CAS RN: 6813-22-5
CAS Name: 2-(4-bromo-1-naphthalenyl)-N'-[1-(1,2-dihydroacenaphthylen-5-yl)ethenyl]acetohydrazide
OPENEYE Name: 2-(4-bromo-1-naphthyl)-N'-[1-(1,2-dihydroacenaphthylen-5-yl)vinyl]acetohydrazide
IUPAC Name: 2-(4-bromonaphthalen-1-yl)-N'-[1-(1,2-dihydroacenaphthylen-5-yl)ethenyl]acetohydrazide
SYSTEMATIC NAME: 2-(4-bromanylnaphthalen-1-yl)-N'-[1-(1,2-dihydroacenaphthylen-5-yl)ethenyl]ethanehydrazide
MOLECULAR FORMULA: C26H21BrN2O
MOLECULAR WEIGHT: 457.36174
SMILES: C=C(C1=C2C=CC=C3C2=C(CC3)C=C1)NNC(=O)CC4=CC=C(C5=CC=CC=C45)Br
Structure:
CAS RN: 4827-62-7
CAS Name: 2-(dichloromethyl)-6-methoxy-4-(2-phenylethenyl)-2,3-dihydrothieno[3,2-c]quinoline
OPENEYE Name: 2-(dichloromethyl)-6-methoxy-4-styryl-2,3-dihydrothieno[3,2-c]quinoline
IUPAC Name: 2-(dichloromethyl)-6-methoxy-4-(2-phenylethenyl)-2,3-dihydrothieno[3,2-c]quinoline
SYSTEMATIC NAME: 2-[bis(chloranyl)methyl]-6-methoxy-4-(2-phenylethenyl)-2,3-dihydrothieno[3,2-c]quinoline
MOLECULAR FORMULA: C21H17Cl2NOS
MOLECULAR WEIGHT: 402.33678
SMILES: COC1=CC=CC2=C1N=C(C3=C2SC(C3)C(Cl)Cl)C=CC4=CC=CC=C4
Structure:
CAS RN: 4827-01-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H18FN3O3
MOLECULAR WEIGHT: 367.373623
SMILES: CC1CCC2=C3N1C(=C(C(=O)C3=CC(=C2)F)C(=O)NCC4=CC=NC=C4)O
Structure:
CAS RN: 4726-53-8
CAS Name: 4-[1-(dimethylamino)-2-(4-morpholinyl)ethylidene]-2-phenyl-5-oxazolone
OPENEYE Name: 4-[1-(dimethylamino)-2-morpholino-ethylidene]-2-phenyl-oxazol-5-one
IUPAC Name: 4-[1-(dimethylamino)-2-morpholin-4-ylethylidene]-2-phenyl-1,3-oxazol-5-one
SYSTEMATIC NAME: 4-[1-(dimethylamino)-2-morpholin-4-yl-ethylidene]-2-phenyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C17H21N3O3
MOLECULAR WEIGHT: 315.36694
SMILES: CN(C)C(=C1C(=O)OC(=N1)C2=CC=CC=C2)CN3CCOCC3
Structure:
CAS RN: 6706-67-8
CAS Name: 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium
OPENEYE Name: 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium
IUPAC Name: 6-chloro-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium
SYSTEMATIC NAME: 6-chloranyl-3-[(4-chlorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium
MOLECULAR FORMULA: C17H18Cl2NO+
MOLECULAR WEIGHT: 323.23692
SMILES: CC1=CC2=C(C[NH+](CO2)CC3=CC=C(C=C3)Cl)C(=C1Cl)C
Structure:
CAS RN: 6677-68-5
CAS Name: 1-(4-chloro-2-cyanophenyl)-3-propan-2-ylurea
OPENEYE Name: 1-(4-chloro-2-cyano-phenyl)-3-isopropyl-urea
IUPAC Name: 1-(4-chloro-2-cyanophenyl)-3-propan-2-ylurea
SYSTEMATIC NAME: 1-(4-chloranyl-2-cyano-phenyl)-3-propan-2-yl-urea
MOLECULAR FORMULA: C11H12ClN3O
MOLECULAR WEIGHT: 237.68548
SMILES: CC(C)NC(=O)NC1=C(C=C(C=C1)Cl)C#N
Structure:
CAS RN: 6672-16-8
CAS Name: 2-(2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
OPENEYE Name: 2-(2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
IUPAC Name: 2-(2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-(2-chloranylphenoxy)-N-[2-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C15H11ClF3NO2
MOLECULAR WEIGHT: 329.70155
SMILES: C1=CC=C(C(=C1)C(F)(F)F)NC(=O)COC2=CC=CC=C2Cl
Structure:
CAS RN: 6038-71-7
CAS Name: N-[3-(2,6-dimethyl-4-morpholinyl)-3-oxopropyl]-N-[3-(4-morpholinyl)propyl]-2-pyrazinecarboxamide
OPENEYE Name: N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxo-propyl]-N-(3-morpholinopropyl)pyrazine-2-carboxamide
IUPAC Name: N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-N-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide
SYSTEMATIC NAME: N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxidanylidene-propyl]-N-(3-morpholin-4-ylpropyl)pyrazine-2-carboxamide
MOLECULAR FORMULA: C21H33N5O4
MOLECULAR WEIGHT: 419.51782
SMILES: CC1CN(CC(O1)C)C(=O)CCN(CCCN2CCOCC2)C(=O)C3=NC=CN=C3
Structure:
CAS RN: 6038-10-4
CAS Name: N-[(4-fluorophenyl)methyl]-5-methyl-N-[3-oxo-3-[(phenylmethyl)amino]propyl]-2-pyrazinecarboxamide
OPENEYE Name: N-[3-(benzylamino)-3-oxo-propyl]-N-[(4-fluorophenyl)methyl]-5-methyl-pyrazine-2-carboxamide
IUPAC Name: N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-5-methyl-N-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]pyrazine-2-carboxamide
MOLECULAR FORMULA: C23H23FN4O2
MOLECULAR WEIGHT: 406.452723
SMILES: CC1=NC=C(N=C1)C(=O)N(CCC(=O)NCC2=CC=CC=C2)CC3=CC=C(C=C3)F
Structure:
CAS RN: 5911-31-9
CAS Name: N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-furanyl)methyl]-2-furancarboxamide
OPENEYE Name: N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-furyl)methyl]furan-2-carboxamide
IUPAC Name: N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
MOLECULAR FORMULA: C18H16FNO3
MOLECULAR WEIGHT: 313.322943
SMILES: CC1=CC=C(O1)CN(CC2=CC=C(C=C2)F)C(=O)C3=CC=CO3
Structure:
CAS RN: 6208-58-8
CAS Name: N-(9-ethyl-4b,8a-dihydrocarbazol-3-yl)-1-oxo-2-benzopyran-4-carboxamide
OPENEYE Name: N-(9-ethyl-4b,8a-dihydrocarbazol-3-yl)-1-oxo-isochromene-4-carboxamide
IUPAC Name: N-(9-ethyl-4b,8a-dihydrocarbazol-3-yl)-1-oxoisochromene-4-carboxamide
SYSTEMATIC NAME: N-(9-ethyl-4b,8a-dihydrocarbazol-3-yl)-1-oxidanylidene-isochromene-4-carboxamide
MOLECULAR FORMULA: C24H20N2O3
MOLECULAR WEIGHT: 384.4272
SMILES: CCN1C2C=CC=CC2C3=C1C=CC(=C3)NC(=O)C4=COC(=O)C5=CC=CC=C54
Structure:
CAS RN: 5371-22-2
CAS Name: 5-[[1-(3,4-dichlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-3-propyl-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-3-propyl-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C19H18Cl2N2OS2
MOLECULAR WEIGHT: 425.39502
SMILES: CCCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC(=C(C=C3)Cl)Cl)C)SC1=S
Structure:
CAS RN: 6801-48-5
CAS Name: N-hexyl-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
OPENEYE Name: N-hexyl-6-[(4-isopropylphenyl)-methyl-sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
IUPAC Name: N-hexyl-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SYSTEMATIC NAME: N-hexyl-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxidanylidene-1H-quinoline-3-carboxamide
MOLECULAR FORMULA: C26H33N3O4S
MOLECULAR WEIGHT: 483.62292
SMILES: CCCCCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)N(C)C3=CC=C(C=C3)C(C)C
Structure:
CAS RN: 4977-39-3
CAS Name: 1-[4-[3,5-di(butan-2-yl)-4-ethoxyphenyl]-2-thiazolyl]-2-pyrrolecarboxaldehyde
OPENEYE Name: 1-[4-(4-ethoxy-3,5-disec-butyl-phenyl)thiazol-2-yl]pyrrole-2-carbaldehyde
IUPAC Name: 1-[4-[3,5-di(butan-2-yl)-4-ethoxyphenyl]-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde
SYSTEMATIC NAME: 1-[4-[3,5-di(butan-2-yl)-4-ethoxy-phenyl]-1,3-thiazol-2-yl]pyrrole-2-carbaldehyde
MOLECULAR FORMULA: C24H30N2O2S
MOLECULAR WEIGHT: 410.5722
SMILES: CCC(C)C1=CC(=CC(=C1OCC)C(C)CC)C2=CSC(=N2)N3C=CC=C3C=O
Structure:
CAS RN: 6531-50-6
CAS Name: 2-[2-[1,3-bis(4-morpholinyl)propan-2-yloxy]-2-oxoethoxy]acetic acid 1,3-bis(4-morpholinyl)propan-2-yl ester
OPENEYE Name: [2-morpholino-1-(morpholinomethyl)ethyl] 2-[2-[2-morpholino-1-(morpholinomethyl)ethoxy]-2-oxo-ethoxy]acetate
IUPAC Name: 1,3-dimorpholin-4-ylpropan-2-yl 2-[2-(1,3-dimorpholin-4-ylpropan-2-yloxy)-2-oxoethoxy]acetate
SYSTEMATIC NAME: 1,3-dimorpholin-4-ylpropan-2-yl 2-[2-(1,3-dimorpholin-4-ylpropan-2-yloxy)-2-oxidanylidene-ethoxy]ethanoate
MOLECULAR FORMULA: C26H46N4O9
MOLECULAR WEIGHT: 558.66484
SMILES: C1COCCN1CC(CN2CCOCC2)OC(=O)COCC(=O)OC(CN3CCOCC3)CN4CCOCC4
Structure:
CAS RN: 4858-89-3
CAS Name: 5-(4-tert-butylphenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-(2-pyridinyl)pyrrolidine-2,3-dione
OPENEYE Name: 5-(4-tert-butylphenyl)-4-[hydroxy-(3-methoxyphenyl)methylene]-1-(2-pyridyl)pyrrolidine-2,3-dione
IUPAC Name: 5-(4-tert-butylphenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
SYSTEMATIC NAME: 5-(4-tert-butylphenyl)-4-[(3-methoxyphenyl)-oxidanyl-methylidene]-1-pyridin-2-yl-pyrrolidine-2,3-dione
MOLECULAR FORMULA: C27H26N2O4
MOLECULAR WEIGHT: 442.50634
SMILES: CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC(=CC=C3)OC)O)C(=O)C(=O)N2C4=CC=CC=N4
Structure:
CAS RN: 6172-56-1
CAS Name: benzoic acid [3-[[[2-(2-ethoxyanilino)-1,2-dioxoethyl]hydrazinylidene]methyl]phenyl] ester
OPENEYE Name: [3-[[[2-(2-ethoxyanilino)-2-oxo-acetyl]hydrazono]methyl]phenyl] benzoate
IUPAC Name: [3-[[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
SYSTEMATIC NAME: [3-[[[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethanoyl]hydrazinylidene]methyl]phenyl] benzoate
MOLECULAR FORMULA: C24H21N3O5
MOLECULAR WEIGHT: 431.44064
SMILES: CCOC1=CC=CC=C1NC(=O)C(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=CC=C3
Structure:
CAS RN: 5984-44-1
CAS Name: 2-[[(4-cyanoanilino)-oxomethyl]amino]-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
OPENEYE Name: 2-[(4-cyanophenyl)carbamoylamino]-3-methyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]pentanamide
IUPAC Name: 2-[(4-cyanophenyl)carbamoylamino]-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
SYSTEMATIC NAME: 2-[(4-cyanophenyl)carbamoylamino]-3-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
MOLECULAR FORMULA: C23H24N6O2S
MOLECULAR WEIGHT: 448.54066
SMILES: CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)C)NC(=O)NC3=CC=C(C=C3)C#N
Structure:
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