CAS RN: 5880-65-9
CAS Name: N-butyl-N-[2-[[5-tert-butyl-2-(2-chlorophenyl)-3-pyrazolyl]amino]-2-oxoethyl]benzamide
OPENEYE Name: N-butyl-N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxo-ethyl]benzamide
IUPAC Name: N-butyl-N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide
SYSTEMATIC NAME: N-butyl-N-[2-[[5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]benzamide
MOLECULAR FORMULA: C26H31ClN4O2
MOLECULAR WEIGHT: 467.00294
SMILES: CCCCN(CC(=O)NC1=CC(=NN1C2=CC=CC=C2Cl)C(C)(C)C)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 5878-82-0
CAS Name: 3'-benzoyl-1'-(1-oxo-3-phenylprop-2-enyl)-4'-phenyl-2-spiro[1H-indole-3,2'-pyrrolidine]one
OPENEYE Name: 3'-benzoyl-4'-phenyl-1'-(3-phenylprop-2-enoyl)spiro[indoline-3,2'-pyrrolidine]-2-one
IUPAC Name: 3'-benzoyl-4'-phenyl-1'-(3-phenylprop-2-enoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
SYSTEMATIC NAME: 4'-phenyl-3'-(phenylcarbonyl)-1'-(3-phenylprop-2-enoyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
MOLECULAR FORMULA: C33H26N2O3
MOLECULAR WEIGHT: 498.57114
SMILES: C1C(C(C2(N1C(=O)C=CC3=CC=CC=C3)C4=CC=CC=C4NC2=O)C(=O)C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 5876-36-8
CAS Name: N-[1-[3-(2,5-dimethylphenyl)-4-oxo-2-quinazolinyl]ethyl]-N-(2-methylpropyl)-3-phenyl-2-propenamide
OPENEYE Name: N-[1-[3-(2,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]-N-isobutyl-3-phenyl-prop-2-enamide
IUPAC Name: N-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: N-[1-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-N-(2-methylpropyl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C31H33N3O2
MOLECULAR WEIGHT: 479.61262
SMILES: CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2C(C)N(CC(C)C)C(=O)C=CC4=CC=CC=C4
Structure:
CAS RN: 5873-91-6
CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-(1-phenylethyl)urea
OPENEYE Name: 1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-(1-phenylethyl)urea
IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-(1-phenylethyl)urea
SYSTEMATIC NAME: 1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-(1-phenylethyl)urea
MOLECULAR FORMULA: C28H34N2O
MOLECULAR WEIGHT: 414.58236
SMILES: CCC1=CC=C(C=C1)NC(=O)N(CC2=CC=C(C=C2)C(C)(C)C)C(C)C3=CC=CC=C3
Structure:
CAS RN: 5873-30-3
CAS Name: 5-(1,3-benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole
OPENEYE Name: 5-(1,3-benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole
IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole
SYSTEMATIC NAME: 5-(1,3-benzodioxol-5-yl)-3-propoxy-1H-1,2,4-triazole
MOLECULAR FORMULA: C12H13N3O3
MOLECULAR WEIGHT: 247.24992
SMILES: CCCOC1=NNC(=N1)C2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 5099-55-8
CAS Name: 2-amino-2-(4-tert-butylphenyl)-2-cyclopropylacetic acid ethyl ester
OPENEYE Name: ethyl 2-amino-2-(4-tert-butylphenyl)-2-cyclopropyl-acetate
IUPAC Name: ethyl 2-amino-2-(4-tert-butylphenyl)-2-cyclopropylacetate
SYSTEMATIC NAME: ethyl 2-azanyl-2-(4-tert-butylphenyl)-2-cyclopropyl-ethanoate
MOLECULAR FORMULA: C17H25NO2
MOLECULAR WEIGHT: 275.3859
SMILES: CCOC(=O)C(C1CC1)(C2=CC=C(C=C2)C(C)(C)C)N
Structure:
CAS RN: 5027-56-5
CAS Name: 4-[5-ethoxy-2-(1-methoxy-2-naphthalenyl)-1H-indol-3-yl]-1-butanamine
OPENEYE Name: 4-[5-ethoxy-2-(1-methoxy-2-naphthyl)-1H-indol-3-yl]butan-1-amine
IUPAC Name: 4-[5-ethoxy-2-(1-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine
SYSTEMATIC NAME: 4-[5-ethoxy-2-(1-methoxynaphthalen-2-yl)-1H-indol-3-yl]butan-1-amine
MOLECULAR FORMULA: C25H28N2O2
MOLECULAR WEIGHT: 388.50202
SMILES: CCOC1=CC2=C(C=C1)NC(=C2CCCCN)C3=C(C4=CC=CC=C4C=C3)OC
Structure:
CAS RN: 5114-58-9
CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid
OPENEYE Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(1-naphthyl)methyl]piperidine-3-carboxylic acid
IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid
SYSTEMATIC NAME: 1-[(4-ethoxy-3-methoxy-phenyl)-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid
MOLECULAR FORMULA: C26H29NO4
MOLECULAR WEIGHT: 419.51276
SMILES: CCOC1=C(C=C(C=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O)OC
Structure:
CAS RN: 5696-12-8
CAS Name: 3-(2-methoxyphenyl)-2-phenyl-2-propenoic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester
OPENEYE Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 3-(2-methoxyphenyl)-2-phenyl-prop-2-enoate
IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)-2-phenylprop-2-enoate
SYSTEMATIC NAME: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(2-methoxyphenyl)-2-phenyl-prop-2-enoate
MOLECULAR FORMULA: C27H26O4
MOLECULAR WEIGHT: 414.49294
SMILES: CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C(=CC2=CC=CC=C2OC)C3=CC=CC=C3
Structure:
CAS RN: 5638-24-4
CAS Name: acetic acid [4-[[2-(4-butoxyphenyl)-5-oxo-4-oxazolylidene]methyl]-2-methoxyphenyl] ester
OPENEYE Name: [4-[[2-(4-butoxyphenyl)-5-oxo-oxazol-4-ylidene]methyl]-2-methoxy-phenyl] acetate
IUPAC Name: [4-[[2-(4-butoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] acetate
SYSTEMATIC NAME: [4-[[2-(4-butoxyphenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-2-methoxy-phenyl] ethanoate
MOLECULAR FORMULA: C23H23NO6
MOLECULAR WEIGHT: 409.43182
SMILES: CCCCOC1=CC=C(C=C1)C2=NC(=CC3=CC(=C(C=C3)OC(=O)C)OC)C(=O)O2
Structure:
CAS RN: 5039-34-9
CAS Name: 6-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: 6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: 6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 6-fluoranyl-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H29FO5
MOLECULAR WEIGHT: 380.450363
SMILES: CC12CCC(=O)C=C1C(CC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O)F
Structure:
CAS RN: 5946-95-2
CAS Name: 2-[butyl-[(4-ethoxyanilino)-oxomethyl]amino]-N-[[1-[(2-chlorophenyl)methyl]-2-pyrrolyl]methyl]-N-(2-methylpropyl)acetamide
OPENEYE Name: 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-isobutyl-acetamide
IUPAC Name: 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)acetamide
SYSTEMATIC NAME: 2-[butyl-[(4-ethoxyphenyl)carbamoyl]amino]-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methylpropyl)ethanamide
MOLECULAR FORMULA: C31H41ClN4O3
MOLECULAR WEIGHT: 553.13524
SMILES: CCCCN(CC(=O)N(CC1=CC=CN1CC2=CC=CC=C2Cl)CC(C)C)C(=O)NC3=CC=C(C=C3)OCC
Structure:
CAS RN: 5552-60-3
CAS Name: 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thio]-N-(1,1-dioxo-3-thiolanyl)-N-ethylacetamide
OPENEYE Name: 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethyl-acetamide
IUPAC Name: 2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SYSTEMATIC NAME: 2-[[6,8-bis(chloranyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-ethyl-ethanamide
MOLECULAR FORMULA: C14H16Cl2N4O3S2
MOLECULAR WEIGHT: 423.33784
SMILES: CCN(C1CCS(=O)(=O)C1)C(=O)CSC2=NN=C3N2C=C(C=C3Cl)Cl
Structure:
CAS RN: 5883-09-0
CAS Name: N-(2,5-ditert-butyl-3-pyrazolyl)-2-[[[2,6-di(propan-2-yl)anilino]-oxomethyl]-propan-2-ylamino]acetamide
OPENEYE Name: N-(2,5-ditert-butylpyrazol-3-yl)-2-[(2,6-diisopropylphenyl)carbamoyl-isopropyl-amino]acetamide
IUPAC Name: N-(2,5-ditert-butylpyrazol-3-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propan-2-ylamino]acetamide
SYSTEMATIC NAME: N-(2,5-ditert-butylpyrazol-3-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propan-2-yl-amino]ethanamide
MOLECULAR FORMULA: C29H47N5O2
MOLECULAR WEIGHT: 497.71578
SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)N(CC(=O)NC2=CC(=NN2C(C)(C)C)C(C)(C)C)C(C)C
Structure:
CAS RN: 5875-54-7
CAS Name: N-butyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]ethyl]butanamide
OPENEYE Name: N-butyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]butanamide
IUPAC Name: N-butyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
SYSTEMATIC NAME: N-butyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]butanamide
MOLECULAR FORMULA: C26H33N3O2
MOLECULAR WEIGHT: 419.55912
SMILES: CCCCN(C(C)C1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)C)C)C(=O)CCC
Structure:
CAS RN: 5645-39-6
CAS Name: 7-[[[4-(2-fluorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinone
OPENEYE Name: 7-[[4-(2-fluorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]thiazolo[3,2-a]pyrimidin-5-one
IUPAC Name: 7-[[4-(2-fluorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[[4-(2-fluorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C23H18FN5O3S2
MOLECULAR WEIGHT: 495.549123
SMILES: COC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3F)SCC4=CC(=O)N5C=CSC5=N4
Structure:
CAS RN: 5642-94-4
CAS Name: 3-hydroxy-N-(5-methylhexan-2-ylideneamino)-2-naphthalenecarboxamide
OPENEYE Name: N-(1,4-dimethylpentylideneamino)-3-hydroxy-naphthalene-2-carboxamide
IUPAC Name: 3-hydroxy-N-(5-methylhexan-2-ylideneamino)naphthalene-2-carboxamide
SYSTEMATIC NAME: N-(5-methylhexan-2-ylideneamino)-3-oxidanyl-naphthalene-2-carboxamide
MOLECULAR FORMULA: C18H22N2O2
MOLECULAR WEIGHT: 298.37948
SMILES: CC(C)CCC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)C
Structure:
CAS RN: 5519-46-0
CAS Name: 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 2-[[(2-fluorophenyl)methyl-methyl-amino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one
IUPAC Name: 2-[[(2-fluorophenyl)methyl-methylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-[[(2-fluorophenyl)methyl-methyl-amino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C20H22FN3OS
MOLECULAR WEIGHT: 371.471583
SMILES: CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CN(C)CC4=CC=CC=C4F
Structure:
CAS RN: 5601-20-7
CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-2-[4-(2-phenylethenylsulfonyl)-1-piperazinyl]acetamide
OPENEYE Name: N-(benzylcarbamoyl)-2-(4-styrylsulfonylpiperazin-1-yl)acetamide
IUPAC Name: N-(benzylcarbamoyl)-2-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]acetamide
SYSTEMATIC NAME: 2-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]-N-[(phenylmethyl)carbamoyl]ethanamide
MOLECULAR FORMULA: C22H26N4O4S
MOLECULAR WEIGHT: 442.53124
SMILES: C1CN(CCN1CC(=O)NC(=O)NCC2=CC=CC=C2)S(=O)(=O)C=CC3=CC=CC=C3
Structure:
CAS RN: 5277-95-2
CAS Name: N,1-bis(2-furanylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-1-ium-4-amine
OPENEYE Name: N,1-bis(2-furylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-1-ium-4-amine
IUPAC Name: N,1-bis(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-1-ium-4-amine
SYSTEMATIC NAME: N,1-bis(furan-2-ylmethyl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-1-ium-4-amine
MOLECULAR FORMULA: C24H24N3O2+
MOLECULAR WEIGHT: 386.46626
SMILES: C1CCC2=C(C1)C(=NC(=[N+]2CC3=CC=CO3)C4=CC=CC=C4)NCC5=CC=CO5
Structure:
CAS RN: 5548-31-2
CAS Name: N-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methyl]-5-chloro-2-methylaniline
OPENEYE Name: N-[(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methyl]-5-chloro-2-methyl-aniline
IUPAC Name: N-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methyl]-5-chloro-2-methylaniline
SYSTEMATIC NAME: N-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methyl]-5-chloranyl-2-methyl-aniline
MOLECULAR FORMULA: C19H19BrClNO2
MOLECULAR WEIGHT: 408.71666
SMILES: CCOC1=C(C(=CC(=C1)CNC2=C(C=CC(=C2)Cl)C)Br)OCC#C
Structure:
CAS RN: 5550-94-7
CAS Name: N-(2,4-difluorophenyl)-3-[4-[(phenylmethyl)sulfamoyl]phenyl]propanamide
OPENEYE Name: 3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-difluorophenyl)propanamide
IUPAC Name: 3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-difluorophenyl)propanamide
SYSTEMATIC NAME: N-[2,4-bis(fluoranyl)phenyl]-3-[4-[(phenylmethyl)sulfamoyl]phenyl]propanamide
MOLECULAR FORMULA: C22H20F2N2O3S
MOLECULAR WEIGHT: 430.467606
SMILES: C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=C(C=C(C=C3)F)F
Structure:
CAS RN: 5550-33-4
CAS Name: 4-[5-[[1-(4-chlorophenyl)-2,5-dioxo-4-imidazolidinylidene]methyl]-2-furanyl]benzoic acid
OPENEYE Name: 4-[5-[[1-(4-chlorophenyl)-2,5-dioxo-imidazolidin-4-ylidene]methyl]-2-furyl]benzoic acid
IUPAC Name: 4-[5-[[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
SYSTEMATIC NAME: 4-[5-[[1-(4-chlorophenyl)-2,5-bis(oxidanylidene)imidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
MOLECULAR FORMULA: C21H13ClN2O5
MOLECULAR WEIGHT: 408.79132
SMILES: C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=O)N(C(=O)N3)C4=CC=C(C=C4)Cl)C(=O)O
Structure:
CAS RN: 5680-07-9
CAS Name: 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]-N,N-bis(2-methylpropyl)acetamide
OPENEYE Name: 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-diisobutyl-acetamide
IUPAC Name: 2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-bis(2-methylpropyl)acetamide
SYSTEMATIC NAME: 2-[[5-[(2-fluorophenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-bis(2-methylpropyl)ethanamide
MOLECULAR FORMULA: C18H25FN4OS2
MOLECULAR WEIGHT: 396.545703
SMILES: CC(C)CN(CC(C)C)C(=O)CSC1=NN=C(S1)NC2=CC=CC=C2F
Structure:
CAS RN: 5034-60-6
CAS Name: 4-[5-methoxy-7-methyl-2-(5-quinolinyl)-1H-indol-3-yl]-1-butanamine
OPENEYE Name: 4-[5-methoxy-7-methyl-2-(5-quinolyl)-1H-indol-3-yl]butan-1-amine
IUPAC Name: 4-(5-methoxy-7-methyl-2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine
SYSTEMATIC NAME: 4-(5-methoxy-7-methyl-2-quinolin-5-yl-1H-indol-3-yl)butan-1-amine
MOLECULAR FORMULA: C23H25N3O
MOLECULAR WEIGHT: 359.4641
SMILES: CC1=C2C(=CC(=C1)OC)C(=C(N2)C3=C4C=CC=NC4=CC=C3)CCCCN
Structure:
CAS RN: 5343-17-9
CAS Name: N-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)methylideneamino]-2-(2-nitrophenyl)acetamide
OPENEYE Name: N-[(1-ethyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]-2-(2-nitrophenyl)acetamide
IUPAC Name: N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-(2-nitrophenyl)acetamide
SYSTEMATIC NAME: N-[(1-ethyl-2,5-dimethyl-pyrrol-3-yl)methylideneamino]-2-(2-nitrophenyl)ethanamide
MOLECULAR FORMULA: C17H20N4O3
MOLECULAR WEIGHT: 328.3657
SMILES: CCN1C(=CC(=C1C)C=NNC(=O)CC2=CC=CC=C2[N+](=O)[O-])C
Structure:
CAS RN: 5695-13-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H12N3O4+
MOLECULAR WEIGHT: 226.20928
SMILES: C1C2C(C(OC2[N+]3=C(O1)N=C(C=C3)N)O)O
Structure:
CAS RN: 5998-37-8
CAS Name: N,N-dimethyl-2-[1-oxo-8-(1-oxopropyl)-4-phenyl-2,4,8-triazaspiro[4.5]decan-2-yl]acetamide
OPENEYE Name: N,N-dimethyl-2-(1-oxo-4-phenyl-8-propanoyl-2,4,8-triazaspiro[4.5]decan-2-yl)acetamide
IUPAC Name: N,N-dimethyl-2-(1-oxo-4-phenyl-8-propanoyl-2,4,8-triazaspiro[4.5]decan-2-yl)acetamide
SYSTEMATIC NAME: N,N-dimethyl-2-(1-oxidanylidene-4-phenyl-8-propanoyl-2,4,8-triazaspiro[4.5]decan-2-yl)ethanamide
MOLECULAR FORMULA: C20H28N4O3
MOLECULAR WEIGHT: 372.46132
SMILES: CCC(=O)N1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)CC(=O)N(C)C
Structure:
CAS RN: 5995-92-6
CAS Name: N'-[5-tert-butyl-2-(3,4-dichlorophenyl)-3-pyrazolyl]-N-(phenylmethyl)butanediamide
OPENEYE Name: N-benzyl-N'-[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]butanediamide
IUPAC Name: N-benzyl-N'-[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]butanediamide
SYSTEMATIC NAME: N'-[5-tert-butyl-2-(3,4-dichlorophenyl)pyrazol-3-yl]-N-(phenylmethyl)butanediamide
MOLECULAR FORMULA: C24H26Cl2N4O2
MOLECULAR WEIGHT: 473.39484
SMILES: CC(C)(C)C1=NN(C(=C1)NC(=O)CCC(=O)NCC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 5593-85-1
CAS Name: 3,4,4-trichloro-3-butenoic acid
OPENEYE Name: 3,4,4-trichlorobut-3-enoic acid
IUPAC Name: 3,4,4-trichlorobut-3-enoic acid
SYSTEMATIC NAME: 3,4,4-tris(chloranyl)but-3-enoic acid
MOLECULAR FORMULA: C4H3Cl3O2
MOLECULAR WEIGHT: 189.42442
SMILES: C(C(=C(Cl)Cl)Cl)C(=O)O
Structure:
CAS RN: 5337-24-6
CAS Name: 2-(benzenesulfonamido)-N-[2-(4-methoxyphenyl)ethyl]propanamide
OPENEYE Name: 2-(benzenesulfonamido)-N-[2-(4-methoxyphenyl)ethyl]propanamide
IUPAC Name: 2-(benzenesulfonamido)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SYSTEMATIC NAME: N-[2-(4-methoxyphenyl)ethyl]-2-(phenylsulfonylamino)propanamide
MOLECULAR FORMULA: C18H22N2O4S
MOLECULAR WEIGHT: 362.44328
SMILES: CC(C(=O)NCCC1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 5868-80-4
CAS Name: N-[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
OPENEYE Name: N-[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxy-benzamide
IUPAC Name: N-[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide
SYSTEMATIC NAME: N-[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxy-benzamide
MOLECULAR FORMULA: C17H18N4O5S
MOLECULAR WEIGHT: 390.41362
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(S2)NCC3=CC=CO3
Structure:
CAS RN: 5638-65-3
CAS Name: 3-methyl-4-oxo-N'-(1-oxo-3-phenylprop-2-enyl)-1-phthalazinecarbohydrazide
OPENEYE Name: 3-methyl-4-oxo-N'-(3-phenylprop-2-enoyl)phthalazine-1-carbohydrazide
IUPAC Name: 3-methyl-4-oxo-N'-(3-phenylprop-2-enoyl)phthalazine-1-carbohydrazide
SYSTEMATIC NAME: 3-methyl-4-oxidanylidene-N'-(3-phenylprop-2-enoyl)phthalazine-1-carbohydrazide
MOLECULAR FORMULA: C19H16N4O3
MOLECULAR WEIGHT: 348.35534
SMILES: CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C=CC3=CC=CC=C3
Structure:
CAS RN: 5638-04-0
CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester
OPENEYE Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate
IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C23H25NO3S
MOLECULAR WEIGHT: 395.5145
SMILES: CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=CC4=C(S3)CCCC4)C)C
Structure:
CAS RN: 5297-43-8
CAS Name: 5-bromo-2-iodo-N-[3-(2-oxazolo[4,5-b]pyridinyl)phenyl]benzamide
OPENEYE Name: 5-bromo-2-iodo-N-(3-oxazolo[4,5-b]pyridin-2-ylphenyl)benzamide
IUPAC Name: 5-bromo-2-iodo-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SYSTEMATIC NAME: 5-bromanyl-2-iodanyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
MOLECULAR FORMULA: C19H11BrIN3O2
MOLECULAR WEIGHT: 520.11801
SMILES: C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)Br)I)C3=NC4=C(O3)C=CC=N4
Structure:
CAS RN: 5284-76-4
CAS Name: 2-(4-chlorophenyl)-6-[oxo-[4-(2-phenylethyl)-1-piperazinyl]methyl]-4,5-dihydropyridazin-3-one
OPENEYE Name: 2-(4-chlorophenyl)-6-[4-(2-phenylethyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
IUPAC Name: 2-(4-chlorophenyl)-6-[4-(2-phenylethyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SYSTEMATIC NAME: 2-(4-chlorophenyl)-6-[4-(2-phenylethyl)piperazin-1-yl]carbonyl-4,5-dihydropyridazin-3-one
MOLECULAR FORMULA: C23H25ClN4O2
MOLECULAR WEIGHT: 424.9232
SMILES: C1CC(=O)N(N=C1C(=O)N2CCN(CC2)CCC3=CC=CC=C3)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 5587-98-4
CAS Name: 2-[[5-(2-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenylpropanamide
OPENEYE Name: 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide
IUPAC Name: 2-[[4-benzyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylpropanamide
SYSTEMATIC NAME: 2-[[5-(2-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-propanamide
MOLECULAR FORMULA: C25H23FN4OS
MOLECULAR WEIGHT: 446.539723
SMILES: CC(C(=O)N(C)C1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4F
Structure:
CAS RN: 5024-97-5
CAS Name: 3-[3-(4-aminobutyl)-5-fluoro-1H-indol-2-yl]-N,N-dimethylaniline
OPENEYE Name: 3-[3-(4-aminobutyl)-5-fluoro-1H-indol-2-yl]-N,N-dimethyl-aniline
IUPAC Name: 3-[3-(4-aminobutyl)-5-fluoro-1H-indol-2-yl]-N,N-dimethylaniline
SYSTEMATIC NAME: 3-[3-(4-azanylbutyl)-5-fluoranyl-1H-indol-2-yl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C20H24FN3
MOLECULAR WEIGHT: 325.423063
SMILES: CN(C)C1=CC=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)F)CCCCN
Structure:
CAS RN: 5024-36-2
CAS Name: 4-[5,7-dimethyl-2-[2-(methylthio)phenyl]-1H-indol-3-yl]-1-butanamine
OPENEYE Name: 4-[5,7-dimethyl-2-(2-methylsulfanylphenyl)-1H-indol-3-yl]butan-1-amine
IUPAC Name: 4-[5,7-dimethyl-2-(2-methylsulfanylphenyl)-1H-indol-3-yl]butan-1-amine
SYSTEMATIC NAME: 4-[5,7-dimethyl-2-(2-methylsulfanylphenyl)-1H-indol-3-yl]butan-1-amine
MOLECULAR FORMULA: C21H26N2S
MOLECULAR WEIGHT: 338.50954
SMILES: CC1=CC(=C2C(=C1)C(=C(N2)C3=CC=CC=C3SC)CCCCN)C
Structure:
CAS RN: 5857-01-2
CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-bromo-2-[[2-(2-chlorophenyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester
OPENEYE Name: [4-bromo-2-[[2-(2-chlorophenyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
IUPAC Name: [4-bromo-2-[[2-(2-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
SYSTEMATIC NAME: [4-bromanyl-2-[[2-(2-chlorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
MOLECULAR FORMULA: C24H13BrClNO6
MOLECULAR WEIGHT: 526.72012
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)OC3=C(C=C(C=C3)Br)C=C4C(=O)OC(=N4)C5=CC=CC=C5Cl
Structure:
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