CAS RN: 7228-32-2
CAS Name: 3-(2-aminophenyl)-1,2,4-triazol-4-amine
OPENEYE Name: 3-(2-aminophenyl)-1,2,4-triazol-4-amine
IUPAC Name: 3-(2-aminophenyl)-1,2,4-triazol-4-amine
SYSTEMATIC NAME: 3-(2-aminophenyl)-1,2,4-triazol-4-amine
MOLECULAR FORMULA: C8H9N5
MOLECULAR WEIGHT: 175.19056
SMILES: C1=CC=C(C(=C1)C2=NN=CN2N)N
Structure:
CAS RN: 7228-31-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H32O10
MOLECULAR WEIGHT: 432.46208
SMILES: C1COC2COC3C2OCC3OCCOCCOC4COC5C4OCC5OCCO1
Structure:
CAS RN: 5781-56-6
CAS Name: 5-[(3-methoxyphenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-[(3-methoxyphenyl)methylene]-1,3-diphenyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-[(3-methoxyphenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-[(3-methoxyphenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C24H18N2O4
MOLECULAR WEIGHT: 398.41072
SMILES: COC1=CC=CC(=C1)C=C2C(=O)N(C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 5777-88-8
CAS Name: 6-amino-3-tert-butyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
OPENEYE Name: 6-amino-3-tert-butyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC Name: 6-amino-3-tert-butyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: 6-azanyl-3-tert-butyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C18H17N5O5
MOLECULAR WEIGHT: 383.35808
SMILES: CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC4=C(C=C3[N+](=O)[O-])OCO4
Structure:
CAS RN: 6255-32-9
CAS Name: 2-(4-nitrophenyl)-1-[2-[[4-(trifluoromethyl)phenyl]methylthio]-4,5-dihydroimidazol-1-yl]ethanone
OPENEYE Name: 2-(4-nitrophenyl)-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
IUPAC Name: 2-(4-nitrophenyl)-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
SYSTEMATIC NAME: 2-(4-nitrophenyl)-1-[2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
MOLECULAR FORMULA: C19H16F3N3O3S
MOLECULAR WEIGHT: 423.40885
SMILES: C1CN(C(=N1)SCC2=CC=C(C=C2)C(F)(F)F)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 5083-25-0
CAS Name: N-[5-[(3,4-dichlorophenyl)methyl]-2-thiazolyl]-2-oxo-1-benzopyran-3-carboxamide
OPENEYE Name: N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]-2-oxo-chromene-3-carboxamide
IUPAC Name: N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide
SYSTEMATIC NAME: N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-oxidanylidene-chromene-3-carboxamide
MOLECULAR FORMULA: C20H12Cl2N2O3S
MOLECULAR WEIGHT: 431.29188
SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=NC=C(S3)CC4=CC(=C(C=C4)Cl)Cl
Structure:
CAS RN: 5922-95-2
CAS Name: N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-4-pentyl-N-propan-2-ylbenzamide
OPENEYE Name: N-isopropyl-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxo-ethyl]-4-pentyl-benzamide
IUPAC Name: N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-4-pentyl-N-propan-2-ylbenzamide
SYSTEMATIC NAME: N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxidanylidene-ethyl]-4-pentyl-N-propan-2-yl-benzamide
MOLECULAR FORMULA: C31H39N3O3
MOLECULAR WEIGHT: 501.65966
SMILES: CCCCCC1=CC=C(C=C1)C(=O)N(CC(=O)N2CCN3C=CC=C3C2C4=CC(=CC=C4)OC)C(C)C
Structure:
CAS RN: 5918-66-1
CAS Name: 2-[[butylamino(oxo)methyl]-propan-2-ylamino]-N-[(5-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide
OPENEYE Name: N-benzyl-2-[butylcarbamoyl(isopropyl)amino]-N-[(5-methyl-2-thienyl)methyl]acetamide
IUPAC Name: N-benzyl-2-[butylcarbamoyl(propan-2-yl)amino]-N-[(5-methylthiophen-2-yl)methyl]acetamide
SYSTEMATIC NAME: 2-[butylcarbamoyl(propan-2-yl)amino]-N-[(5-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C23H33N3O2S
MOLECULAR WEIGHT: 415.59202
SMILES: CCCCNC(=O)N(CC(=O)N(CC1=CC=CC=C1)CC2=CC=C(S2)C)C(C)C
Structure:
CAS RN: 5287-53-6
CAS Name: acetic acid [2-[(5-methyl-2-furanyl)methylidene]-3-oxo-6-benzofuranyl] ester
OPENEYE Name: [2-[(5-methyl-2-furyl)methylene]-3-oxo-benzofuran-6-yl] acetate
IUPAC Name: [2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] acetate
SYSTEMATIC NAME: [2-[(5-methylfuran-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] ethanoate
MOLECULAR FORMULA: C16H12O5
MOLECULAR WEIGHT: 284.26348
SMILES: CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C
Structure:
CAS RN: 6208-81-7
CAS Name: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-[4-(2-fluorophenyl)-1-piperazinyl]-1-propanone
OPENEYE Name: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
IUPAC Name: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
SYSTEMATIC NAME: 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C19H19FN4O4S
MOLECULAR WEIGHT: 418.441963
SMILES: C1CN(CCN1C2=CC=CC=C2F)C(=O)CCS(=O)(=O)C3=CC=CC4=NON=C43
Structure:
CAS RN: 6208-20-4
CAS Name: N2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methoxy-N4-prop-2-enyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: N4-allyl-N2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methoxy-1,3,5-triazine-2,4-diamine
IUPAC Name: 2-N-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methoxy-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methoxy-N4-prop-2-enyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C20H18N6O2
MOLECULAR WEIGHT: 374.39592
SMILES: COC1=NC(=NC(=N1)NCC=C)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3
Structure:
CAS RN: 5504-58-5
CAS Name: 4-[(2-phenylphenoxy)methyl]-N-[1-(3-pyridinyl)ethylideneamino]benzamide
OPENEYE Name: 4-[(2-phenylphenoxy)methyl]-N-[1-(3-pyridyl)ethylideneamino]benzamide
IUPAC Name: 4-[(2-phenylphenoxy)methyl]-N-(1-pyridin-3-ylethylideneamino)benzamide
SYSTEMATIC NAME: 4-[(2-phenylphenoxy)methyl]-N-(1-pyridin-3-ylethylideneamino)benzamide
MOLECULAR FORMULA: C27H23N3O2
MOLECULAR WEIGHT: 421.49042
SMILES: CC(=NNC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C3=CC=CC=C3)C4=CN=CC=C4
Structure:
CAS RN: 7228-28-6
CAS Name: 1,3-dioxo-2-phenyl-3a,4,7,8,9,10,10a,10b-octahydropyrrolo[3,4-g][1]benzazepine-6-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 1,3-dioxo-2-phenyl-3a,4,7,8,9,10,10a,10b-octahydropyrrolo[3,4-g][1]benzazepine-6-carboxylate
IUPAC Name: tert-butyl 1,3-dioxo-2-phenyl-3a,4,7,8,9,10,10a,10b-octahydropyrrolo[3,4-g][1]benzazepine-6-carboxylate
SYSTEMATIC NAME: tert-butyl 1,3-bis(oxidanylidene)-2-phenyl-3a,4,7,8,9,10,10a,10b-octahydropyrrolo[3,4-g][1]benzazepine-6-carboxylate
MOLECULAR FORMULA: C23H28N2O4
MOLECULAR WEIGHT: 396.47942
SMILES: CC(C)(C)OC(=O)N1CCCCC2C1=CCC3C2C(=O)N(C3=O)C4=CC=CC=C4
Structure:
CAS RN: 5387-42-8
CAS Name: N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
OPENEYE Name: N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
IUPAC Name: N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C16H11F2N3O2S
MOLECULAR WEIGHT: 347.339246
SMILES: C1=CC=C(C(=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)F)F
Structure:
CAS RN: 5611-45-0
CAS Name: N-[3-(diethylamino)propyl]-2-(4-methoxyphenoxy)acetamide
OPENEYE Name: N-[3-(diethylamino)propyl]-2-(4-methoxyphenoxy)acetamide
IUPAC Name: N-[3-(diethylamino)propyl]-2-(4-methoxyphenoxy)acetamide
SYSTEMATIC NAME: N-[3-(diethylamino)propyl]-2-(4-methoxyphenoxy)ethanamide
MOLECULAR FORMULA: C16H26N2O3
MOLECULAR WEIGHT: 294.38924
SMILES: CCN(CC)CCCNC(=O)COC1=CC=C(C=C1)OC
Structure:
CAS RN: 5265-91-8
CAS Name: 2-acetyloxybenzoic acid prop-2-ynyl ester; carbon monoxide; cobalt; cobalt(3+)
OPENEYE Name: cobaltic; carbon monoxide; cobalt; prop-2-ynyl 2-acetoxybenzoate
IUPAC Name: carbon monoxide; cobalt; cobalt(3+); prop-2-ynyl 2-acetyloxybenzoate
SYSTEMATIC NAME: carbon monoxide; cobalt; cobalt(3+); prop-2-ynyl 2-acetyloxybenzoate
MOLECULAR FORMULA: C18H9Co2O10+2
MOLECULAR WEIGHT: 503.12446
SMILES: CC(=O)OC1=CC=CC=C1C(=O)OCC#[C-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co+3]
Structure:
CAS RN: 6079-26-1
CAS Name: 9-bromo-2-hydroxy-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
OPENEYE Name: 9-bromo-2-hydroxy-6-[2-(4-hydroxy-3,5-dimethoxy-phenyl)vinyl]-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
IUPAC Name: 9-bromo-2-hydroxy-6-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
SYSTEMATIC NAME: 9-bromanyl-6-[2-(3,5-dimethoxy-4-oxidanyl-phenyl)ethenyl]-2-oxidanyl-3a,4,6,11,11a,11b-hexahydronaphtho[6,7-e]isoindole-1,3,7,10-tetrone
MOLECULAR FORMULA: C26H22BrNO8
MOLECULAR WEIGHT: 556.35878
SMILES: COC1=CC(=CC(=C1O)OC)C=CC2C3=CCC4C(C3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)O
Structure:
CAS RN: 6162-88-5
CAS Name: N-(4-ethoxyphenyl)-2-[(3-methyl-2-thiophenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
OPENEYE Name: N-(4-ethoxyphenyl)-2-[(3-methyl-2-thienyl)methyleneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
IUPAC Name: N-(4-ethoxyphenyl)-2-[(3-methylthiophen-2-yl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SYSTEMATIC NAME: N-(4-ethoxyphenyl)-2-[(3-methylthiophen-2-yl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
MOLECULAR FORMULA: C22H22N2O2S2
MOLECULAR WEIGHT: 410.55228
SMILES: CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)N=CC4=C(C=CS4)C
Structure:
CAS RN: 6162-27-2
CAS Name: 2-amino-1-(4-chloro-2-nitrophenyl)-4-[2,4-dimethyl-5-[[(4-methylphenyl)thio]methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
OPENEYE Name: 2-amino-1-(4-chloro-2-nitro-phenyl)-4-[2,4-dimethyl-5-(p-tolylsulfanylmethyl)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
IUPAC Name: 2-amino-1-(4-chloro-2-nitrophenyl)-4-[2,4-dimethyl-5-[(4-methylphenyl)sulfanylmethyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-1-(4-chloranyl-2-nitro-phenyl)-4-[2,4-dimethyl-5-[(4-methylphenyl)sulfanylmethyl]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C34H33ClN4O3S
MOLECULAR WEIGHT: 613.16882
SMILES: CC1=CC=C(C=C1)SCC2=C(C=C(C(=C2)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=C(C=C(C=C5)Cl)[N+](=O)[O-])N)C#N)C)C
Structure:
CAS RN: 6693-71-6
CAS Name: 5-amino-5-oxo-2-(2,3,4,5,6-pentahydroxyhexylamino)pentanoic acid
OPENEYE Name: 5-amino-5-oxo-2-(2,3,4,5,6-pentahydroxyhexylamino)pentanoic acid
IUPAC Name: 5-amino-5-oxo-2-(2,3,4,5,6-pentahydroxyhexylamino)pentanoic acid
SYSTEMATIC NAME: 5-azanyl-5-oxidanylidene-2-[2,3,4,5,6-pentakis(oxidanyl)hexylamino]pentanoic acid
MOLECULAR FORMULA: C11H22N2O8
MOLECULAR WEIGHT: 310.30098
SMILES: C(CC(=O)N)C(C(=O)O)NCC(C(C(C(CO)O)O)O)O
Structure:
CAS RN: 6087-81-6
CAS Name: N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[(1-methyl-5-tetrazolyl)thio]methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzenesulfonamide
OPENEYE Name: N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzenesulfonamide
IUPAC Name: N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzenesulfonamide
SYSTEMATIC NAME: N-[[3-[3-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]phenyl]methyl]benzenesulfonamide
MOLECULAR FORMULA: C34H35N5O5S2
MOLECULAR WEIGHT: 657.8022
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC(=CC=C4)CNS(=O)(=O)C5=CC=CC=C5)CSC6=NN=NN6C
Structure:
CAS RN: 6087-20-3
CAS Name: 6-acetamido-N-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(2-pyrimidinylthio)methyl]-1,3-dioxan-2-yl]phenyl]methyl]hexanamide
OPENEYE Name: 6-acetamido-N-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]hexanamide
IUPAC Name: 6-acetamido-N-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]hexanamide
SYSTEMATIC NAME: 6-acetamido-N-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-(pyrimidin-2-ylsulfanylmethyl)-1,3-dioxan-2-yl]phenyl]methyl]hexanamide
MOLECULAR FORMULA: C32H40N4O5S
MOLECULAR WEIGHT: 592.7488
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)CCCCCNC(=O)C)CSC4=NC=CC=N4
Structure:
CAS RN: 5839-89-4
CAS Name: 6-bromo-2-[[(4,5-dichloro-3,6-dioxo-1-cyclohexa-1,4-dienyl)thio]methyl]-5-methoxy-1-methyl-3-indolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 6-bromo-2-[(4,5-dichloro-3,6-dioxo-cyclohexa-1,4-dien-1-yl)sulfanylmethyl]-5-methoxy-1-methyl-indole-3-carboxylate
IUPAC Name: ethyl 6-bromo-2-[(4,5-dichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylmethyl]-5-methoxy-1-methylindole-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[4,5-bis(chloranyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]sulfanylmethyl]-6-bromanyl-5-methoxy-1-methyl-indole-3-carboxylate
MOLECULAR FORMULA: C20H16BrCl2NO5S
MOLECULAR WEIGHT: 533.21974
SMILES: CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSC3=CC(=O)C(=C(C3=O)Cl)Cl
Structure:
CAS RN: 5839-28-1
CAS Name: 2-[(2-acetamido-1-oxoethyl)-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide
OPENEYE Name: 2-[(2-acetamidoacetyl)-methyl-amino]-N-(4-methoxyphenyl)-2-phenyl-acetamide
IUPAC Name: 2-[(2-acetamidoacetyl)-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide
SYSTEMATIC NAME: 2-[2-acetamidoethanoyl(methyl)amino]-N-(4-methoxyphenyl)-2-phenyl-ethanamide
MOLECULAR FORMULA: C20H23N3O4
MOLECULAR WEIGHT: 369.41432
SMILES: CC(=O)NCC(=O)N(C)C(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)OC
Structure:
CAS RN: 5912-85-6
CAS Name: 4-fluorobenzenesulfonic acid [4-[[[cyclobutyl(oxo)methyl]-[(4-fluorophenyl)methyl]amino]methyl]phenyl] ester
OPENEYE Name: [4-[[cyclobutanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate
IUPAC Name: [4-[[cyclobutanecarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate
SYSTEMATIC NAME: [4-[[cyclobutylcarbonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl] 4-fluoranylbenzenesulfonate
MOLECULAR FORMULA: C25H23F2NO4S
MOLECULAR WEIGHT: 471.516226
SMILES: C1CC(C1)C(=O)N(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=C(C=C4)F
Structure:
CAS RN: 5912-24-3
CAS Name: N-(4-fluorophenyl)-2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
OPENEYE Name: N-(4-fluorophenyl)-2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
IUPAC Name: N-(4-fluorophenyl)-2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-2-[4-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]ethanamide
MOLECULAR FORMULA: C23H17F2N3O2S
MOLECULAR WEIGHT: 437.461786
SMILES: C1=CC(=CC=C1CC2=NSC(=N2)OC3=CC=C(C=C3)CC(=O)NC4=CC=C(C=C4)F)F
Structure:
CAS RN: 5908-56-5
CAS Name: N-tert-butyl-N-[2-[2-furanylmethyl(2-phenylethyl)amino]-2-oxoethyl]butanamide
OPENEYE Name: N-tert-butyl-N-[2-[2-furylmethyl(2-phenylethyl)amino]-2-oxo-ethyl]butanamide
IUPAC Name: N-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]butanamide
SYSTEMATIC NAME: N-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxidanylidene-ethyl]butanamide
MOLECULAR FORMULA: C23H32N2O3
MOLECULAR WEIGHT: 384.51178
SMILES: CCCC(=O)N(CC(=O)N(CCC1=CC=CC=C1)CC2=CC=CO2)C(C)(C)C
Structure:
CAS RN: 6172-86-7
CAS Name: N'-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,5-dimethylphenyl)oxamide
OPENEYE Name: N'-[[3-[(2-chlorophenyl)methoxy]phenyl]methyleneamino]-N-(2,5-dimethylphenyl)oxamide
IUPAC Name: N'-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,5-dimethylphenyl)oxamide
SYSTEMATIC NAME: N'-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,5-dimethylphenyl)ethanediamide
MOLECULAR FORMULA: C24H22ClN3O3
MOLECULAR WEIGHT: 435.90278
SMILES: CC1=CC(=C(C=C1)C)NC(=O)C(=O)NN=CC2=CC(=CC=C2)OCC3=CC=CC=C3Cl
Structure:
CAS RN: 6172-25-4
CAS Name: N'-[[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
OPENEYE Name: N'-[[3-bromo-4-[(2-chloro-6-fluoro-phenyl)methoxy]-5-methoxy-phenyl]methyleneamino]-N-(3,4-dimethylphenyl)oxamide
IUPAC Name: N'-[[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
SYSTEMATIC NAME: N'-[[3-bromanyl-4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-5-methoxy-phenyl]methylideneamino]-N-(3,4-dimethylphenyl)ethanediamide
MOLECULAR FORMULA: C25H22BrClFN3O4
MOLECULAR WEIGHT: 562.815283
SMILES: CC1=C(C=C(C=C1)NC(=O)C(=O)NN=CC2=CC(=C(C(=C2)Br)OCC3=C(C=CC=C3Cl)F)OC)C
Structure:
CAS RN: 6823-44-5
CAS Name: 1-[2-(4-methoxyphenyl)-1-indolyl]-3-(2-methyl-1-piperidin-1-iumyl)-2-propanol
OPENEYE Name: 1-[2-(4-methoxyphenyl)indol-1-yl]-3-(2-methylpiperidin-1-ium-1-yl)propan-2-ol
IUPAC Name: 1-[2-(4-methoxyphenyl)indol-1-yl]-3-(2-methylpiperidin-1-ium-1-yl)propan-2-ol
SYSTEMATIC NAME: 1-[2-(4-methoxyphenyl)indol-1-yl]-3-(2-methylpiperidin-1-ium-1-yl)propan-2-ol
MOLECULAR FORMULA: C24H31N2O2+
MOLECULAR WEIGHT: 379.51514
SMILES: CC1CCCC[NH+]1CC(CN2C3=CC=CC=C3C=C2C4=CC=C(C=C4)OC)O
Structure:
CAS RN: 7228-27-5
CAS Name: [2,5-bis(2,2-dimethylpropylamino)-4-(2,2-dimethylpropyliminio)-1-cyclohexa-2,5-dienylidene]-(2,2-dimethylpropyl)ammonium
OPENEYE Name: [2,5-bis(2,2-dimethylpropylamino)-4-(2,2-dimethylpropyliminio)cyclohexa-2,5-dien-1-ylidene]-(2,2-dimethylpropyl)ammonium
IUPAC Name: [2,5-bis(2,2-dimethylpropylamino)-4-(2,2-dimethylpropylazaniumylidene)cyclohexa-2,5-dien-1-ylidene]-(2,2-dimethylpropyl)azanium
SYSTEMATIC NAME: [2,5-bis(2,2-dimethylpropylamino)-4-(2,2-dimethylpropylazaniumylidene)cyclohexa-2,5-dien-1-ylidene]-(2,2-dimethylpropyl)azanium
MOLECULAR FORMULA: C26H50N4+2
MOLECULAR WEIGHT: 418.702
SMILES: CC(C)(C)CNC1=CC(=[NH+]CC(C)(C)C)C(=CC1=[NH+]CC(C)(C)C)NCC(C)(C)C
Structure:
CAS RN: 6816-78-0
CAS Name: 3-methyl-4-nitrobenzoic acid 2-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-piperidinyl]ethyl ester
OPENEYE Name: 2-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-piperidyl]ethyl 3-methyl-4-nitro-benzoate
IUPAC Name: 2-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-2-yl]ethyl 3-methyl-4-nitrobenzoate
SYSTEMATIC NAME: 2-[1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidin-2-yl]ethyl 3-methyl-4-nitro-benzoate
MOLECULAR FORMULA: C22H23N3O6S
MOLECULAR WEIGHT: 457.49952
SMILES: CC1=C(C=CC(=C1)C(=O)OCCC2CCCCN2C3=NS(=O)(=O)C4=CC=CC=C43)[N+](=O)[O-]
Structure:
CAS RN: 6337-23-1
CAS Name: 2-[[2-(2-chlorophenoxy)-1-oxoethyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylic acid propan-2-yl ester
OPENEYE Name: isopropyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
IUPAC Name: propan-2-yl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
SYSTEMATIC NAME: propan-2-yl 2-[2-(2-chloranylphenoxy)ethanoylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C26H34ClNO4S
MOLECULAR WEIGHT: 492.07046
SMILES: CC(C)OC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)COC3=CC=CC=C3Cl
Structure:
CAS RN: 6750-54-5
CAS Name: [4-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]sulfonyl-(4-methyl-2-pyrimidinyl)azanide
OPENEYE Name: [4-[(4-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
IUPAC Name: [4-[(4-methoxybenzoyl)amino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
SYSTEMATIC NAME: [4-[(4-methoxyphenyl)carbonylamino]phenyl]sulfonyl-(4-methylpyrimidin-2-yl)azanide
MOLECULAR FORMULA: C19H17N4O4S-
MOLECULAR WEIGHT: 397.42768
SMILES: CC1=NC(=NC=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC
Structure:
CAS RN: 6048-83-5
CAS Name: 2-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylic acid methyl ester
OPENEYE Name: methyl 2-benzyl-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylate
IUPAC Name: methyl 2-benzyl-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylate
SYSTEMATIC NAME: methyl 2-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylate
MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: COC(=O)C12CCCCC1CN(C2)CC3=CC=CC=C3
Structure:
CAS RN: 4862-40-2
CAS Name: 5-[[9-methyl-4-oxo-2-(3-propan-2-yloxypropylamino)-3-pyrido[1,2-a]pyrimidinyl]methylidene]-3-propan-2-yl-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-[[2-(3-isopropoxypropylamino)-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-3-isopropyl-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-[[9-methyl-4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-[[9-methyl-4-oxidanylidene-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C22H28N4O3S2
MOLECULAR WEIGHT: 460.61272
SMILES: CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C(C)C)NCCCOC(C)C
Structure:
CAS RN: 4858-72-4
CAS Name: N-[3-[2-(diethylamino)ethylamino]-1-(1-methyl-3-indolyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
OPENEYE Name: N-[1-[2-(diethylamino)ethylcarbamoyl]-2-(1-methylindol-3-yl)vinyl]-2-methoxy-benzamide
IUPAC Name: N-[3-[2-(diethylamino)ethylamino]-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
SYSTEMATIC NAME: N-[3-[2-(diethylamino)ethylamino]-1-(1-methylindol-3-yl)-3-oxidanylidene-prop-1-en-2-yl]-2-methoxy-benzamide
MOLECULAR FORMULA: C26H32N4O3
MOLECULAR WEIGHT: 448.55728
SMILES: CCN(CC)CCNC(=O)C(=CC1=CN(C2=CC=CC=C21)C)NC(=O)C3=CC=CC=C3OC
Structure:
CAS RN: 4902-20-9
CAS Name: 3-phenyl-2-propenoic acid [3-(4-chlorophenyl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester
OPENEYE Name: [3-(4-chlorophenyl)-2-methyl-4-oxo-chromen-7-yl] 3-phenylprop-2-enoate
IUPAC Name: [3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl] 3-phenylprop-2-enoate
SYSTEMATIC NAME: [3-(4-chlorophenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 3-phenylprop-2-enoate
MOLECULAR FORMULA: C25H17ClO4
MOLECULAR WEIGHT: 416.85308
SMILES: CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C=CC3=CC=CC=C3)C4=CC=C(C=C4)Cl
Structure:
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