CAS RN: 4851-46-1
CAS Name: 3-[[[[[5-(4-chlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid
OPENEYE Name: 3-[[5-(4-chlorophenyl)furan-2-carbonyl]carbamothioylamino]-4-methyl-benzoic acid
IUPAC Name: 3-[[5-(4-chlorophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid
SYSTEMATIC NAME: 3-[[5-(4-chlorophenyl)furan-2-yl]carbonylcarbamothioylamino]-4-methyl-benzoic acid
MOLECULAR FORMULA: C20H15ClN2O4S
MOLECULAR WEIGHT: 414.8621
SMILES: CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 4591-66-6
CAS Name: 1-[(2-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3,7-dimethylpurine-2,6-dione
OPENEYE Name: 1-[(2-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3,7-dimethyl-purine-2,6-dione
IUPAC Name: 1-[(2-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3,7-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 1-[(2-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3,7-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C16H18FN5O3
MOLECULAR WEIGHT: 347.344223
SMILES: CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)CC3=CC=CC=C3F)C
Structure:
CAS RN: 4591-05-3
CAS Name: 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylate
IUPAC Name: ethyl 5-(4-bromophenyl)-4,6-dioxo-1-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-(4-bromophenyl)-4,6-bis(oxidanylidene)-1-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylate
MOLECULAR FORMULA: C21H19BrN2O4
MOLECULAR WEIGHT: 443.29056
SMILES: CCOC(=O)C1C2C(C(N1)C3=CC=CC=C3)C(=O)N(C2=O)C4=CC=C(C=C4)Br
Structure:
CAS RN: 5553-45-7
CAS Name: N-methyl-2-[(2-nitro-3-pyridinyl)oxy]-N-(phenylmethyl)acetamide
OPENEYE Name: N-benzyl-N-methyl-2-[(2-nitro-3-pyridyl)oxy]acetamide
IUPAC Name: N-benzyl-N-methyl-2-(2-nitropyridin-3-yl)oxyacetamide
SYSTEMATIC NAME: N-methyl-2-(2-nitropyridin-3-yl)oxy-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C15H15N3O4
MOLECULAR WEIGHT: 301.2973
SMILES: CN(CC1=CC=CC=C1)C(=O)COC2=C(N=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 5979-80-6
CAS Name: 1-cyclopropyl-1-[2-[4-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2,6-dimethylphenyl)urea
OPENEYE Name: 1-cyclopropyl-1-[2-[4-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxo-ethyl]-3-(2,6-dimethylphenyl)urea
IUPAC Name: 1-cyclopropyl-1-[2-[4-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]-3-(2,6-dimethylphenyl)urea
SYSTEMATIC NAME: 1-cyclopropyl-1-[2-[4-(2,5-dimethoxyphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxidanylidene-ethyl]-3-(2,6-dimethylphenyl)urea
MOLECULAR FORMULA: C33H34N4O4
MOLECULAR WEIGHT: 550.64746
SMILES: CC1=C(C(=CC=C1)C)NC(=O)N(CC(=O)N2C(C3=CC=CN3C4=CC=CC=C42)C5=C(C=CC(=C5)OC)OC)C6CC6
Structure:
CAS RN: 4578-83-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24NO3+
MOLECULAR WEIGHT: 302.38806
SMILES: C[N+]1(CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O)C
Structure:
CAS RN: 5618-32-6
CAS Name: N-(2,3-dimethylcyclohexyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
OPENEYE Name: N-(2,3-dimethylcyclohexyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SYSTEMATIC NAME: N-(2,3-dimethylcyclohexyl)-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide
MOLECULAR FORMULA: C17H22N2O4S
MOLECULAR WEIGHT: 350.43258
SMILES: CC1CCCC(C1C)NC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O
Structure:
CAS RN: 4823-25-0
CAS Name: 5-(4-phenoxyanilino)-3-phenylthiazolidine-2,4-dione
OPENEYE Name: 5-(4-phenoxyanilino)-3-phenyl-thiazolidine-2,4-dione
IUPAC Name: 5-(4-phenoxyanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 5-[(4-phenoxyphenyl)amino]-3-phenyl-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C21H16N2O3S
MOLECULAR WEIGHT: 376.42834
SMILES: C1=CC=C(C=C1)N2C(=O)C(SC2=O)NC3=CC=C(C=C3)OC4=CC=CC=C4
Structure:
CAS RN: 4573-39-1
CAS Name: 2-[3-(2-methoxyphenyl)prop-2-enylidene]-6-phenacyloxy-3-benzofuranone
OPENEYE Name: 2-[3-(2-methoxyphenyl)prop-2-enylidene]-6-phenacyloxy-benzofuran-3-one
IUPAC Name: 2-[3-(2-methoxyphenyl)prop-2-enylidene]-6-phenacyloxy-1-benzofuran-3-one
SYSTEMATIC NAME: 2-[3-(2-methoxyphenyl)prop-2-enylidene]-6-phenacyloxy-1-benzofuran-3-one
MOLECULAR FORMULA: C26H20O5
MOLECULAR WEIGHT: 412.434
SMILES: COC1=CC=CC=C1C=CC=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)C4=CC=CC=C4
Structure:
CAS RN: 4657-18-5
CAS Name: 2-[1-[3-[(3-hexyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-4-oxo-2-pyrido[1,2-a]pyrimidinyl]-3-oxo-2-piperazinyl]acetic acid methyl ester
OPENEYE Name: methyl 2-[1-[3-[(3-hexyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-4-oxo-pyrido[1,2-a]pyrimidin-2-yl]-3-oxo-piperazin-2-yl]acetate
IUPAC Name: methyl 2-[1-[3-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate
SYSTEMATIC NAME: methyl 2-[1-[3-[(3-hexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl]-3-oxidanylidene-piperazin-2-yl]ethanoate
MOLECULAR FORMULA: C25H29N5O5S2
MOLECULAR WEIGHT: 543.65826
SMILES: CCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCNC(=O)C4CC(=O)OC)SC1=S
Structure:
CAS RN: 4654-12-0
CAS Name: 5-cyano-4-(4-ethoxyphenyl)-2-oxo-6-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester
OPENEYE Name: methyl 6-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
IUPAC Name: methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
SYSTEMATIC NAME: methyl 5-cyano-4-(4-ethoxyphenyl)-2-oxidanylidene-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate
MOLECULAR FORMULA: C25H25N3O5S
MOLECULAR WEIGHT: 479.5481
SMILES: CCOC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NCC3=CC=CC=C3)C(=O)OC
Structure:
CAS RN: 5585-11-5
CAS Name: 4,6-bis(1-azepanyl)-N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3,5-triazin-2-amine
OPENEYE Name: 4,6-bis(azepan-1-yl)-N-(1,3-benzodioxol-5-ylmethyleneamino)-1,3,5-triazin-2-amine
IUPAC Name: 4,6-bis(azepan-1-yl)-N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4,6-bis(azepan-1-yl)-N-(1,3-benzodioxol-5-ylmethylideneamino)-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C23H31N7O2
MOLECULAR WEIGHT: 437.53794
SMILES: C1CCCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC4=C(C=C3)OCO4)N5CCCCCC5
Structure:
CAS RN: 5680-58-0
CAS Name: 4-[[[2-(1,3-benzoxazol-3-ium-2-ylthio)-1-oxoethyl]hydrazinylidene]methyl]benzoate
OPENEYE Name: 4-[[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazono]methyl]benzoate
IUPAC Name: 4-[[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate
SYSTEMATIC NAME: 4-[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)ethanoylhydrazinylidene]methyl]benzoate
MOLECULAR FORMULA: C17H13N3O4S
MOLECULAR WEIGHT: 355.36782
SMILES: C1=CC=C2C(=C1)[NH+]=C(O2)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)[O-]
Structure:
CAS RN: 5593-71-5
CAS Name: 3-[2-[(1-methyl-2-pyrrolyl)methylidene]hydrazinyl]-2-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 3-[2-[(1-methylpyrrol-2-yl)methylene]hydrazino]thiophene-2-carboxylate
IUPAC Name: methyl 3-[2-[(1-methylpyrrol-2-yl)methylidene]hydrazinyl]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[2-[(1-methylpyrrol-2-yl)methylidene]hydrazinyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C12H13N3O2S
MOLECULAR WEIGHT: 263.31552
SMILES: CN1C=CC=C1C=NNC2=C(SC=C2)C(=O)OC
Structure:
CAS RN: 4807-92-5
CAS Name: 3a-methyl-3-(2-methylphenyl)-5,5-dioxo-6,6a-dihydro-4H-thieno[3,4-d]thiazole-2-thione
OPENEYE Name: 3a-methyl-3-(o-tolyl)-5,5-dioxo-6,6a-dihydro-4H-thieno[3,4-d]thiazole-2-thione
IUPAC Name: 3a-methyl-3-(2-methylphenyl)-5,5-dioxo-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione
SYSTEMATIC NAME: 3a-methyl-3-(2-methylphenyl)-5,5-bis(oxidanylidene)-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione
MOLECULAR FORMULA: C13H15NO2S3
MOLECULAR WEIGHT: 313.4587
SMILES: CC1=CC=CC=C1N2C(=S)SC3C2(CS(=O)(=O)C3)C
Structure:
CAS RN: 5845-09-0
CAS Name: 2-(2,4-dimethylphenoxy)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide
OPENEYE Name: 2-(2,4-dimethylphenoxy)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]acetamide
IUPAC Name: 2-(2,4-dimethylphenoxy)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide
SYSTEMATIC NAME: 2-(2,4-dimethylphenoxy)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]ethanamide
MOLECULAR FORMULA: C18H17N3O6
MOLECULAR WEIGHT: 371.34408
SMILES: CC1=CC(=C(C=C1)OCC(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C
Structure:
CAS RN: 4561-61-9
CAS Name: 5-[(phenylmethylthio)methyl]-2-furancarboxylic acid (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl ester
OPENEYE Name: (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate
IUPAC Name: (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-(benzylsulfanylmethyl)furan-2-carboxylate
SYSTEMATIC NAME: (5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl 5-[(phenylmethylsulfanyl)methyl]furan-2-carboxylate
MOLECULAR FORMULA: C24H32NO3S+
MOLECULAR WEIGHT: 414.58078
SMILES: C[N+]12CCCCC1C(CCC2)COC(=O)C3=CC=C(O3)CSCC4=CC=CC=C4
Structure:
CAS RN: 7226-67-7
CAS Name: 4-methyl-N-(3-nitrosobut-2-en-2-yl)aniline; nickel; dihydrate
OPENEYE Name: 4-methyl-N-(1-methyl-2-nitroso-prop-1-enyl)aniline; nickel; dihydrate
IUPAC Name: 4-methyl-N-(3-nitrosobut-2-en-2-yl)aniline; nickel; dihydrate
SYSTEMATIC NAME: 4-methyl-N-(3-nitrosobut-2-en-2-yl)aniline; nickel; dihydrate
MOLECULAR FORMULA: C22H32N4NiO4
MOLECULAR WEIGHT: 475.20728
SMILES: CC1=CC=C(C=C1)NC(=C(C)N=O)C.CC1=CC=C(C=C1)NC(=C(C)N=O)C.O.O.[Ni]
Structure:
CAS RN: 5719-83-5
CAS Name: 3-(3,4,5-trimethoxyphenyl)-2-propenoic acid [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester
OPENEYE Name: [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
IUPAC Name: [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C24H26N2O6S
MOLECULAR WEIGHT: 470.53804
SMILES: CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC
Structure:
CAS RN: 6745-46-6
CAS Name: 4-(3-bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylene-3-[4-morpholinyl(oxo)methyl]-3,4,6,8-tetrahydro-1H-quinolin-5-one
OPENEYE Name: 4-(3-bromo-5-ethoxy-4-methoxy-phenyl)-7,7-dimethyl-2-methylene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one
IUPAC Name: 4-(3-bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one
SYSTEMATIC NAME: 4-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-7,7-dimethyl-2-methylidene-3-morpholin-4-ylcarbonyl-3,4,6,8-tetrahydro-1H-quinolin-5-one
MOLECULAR FORMULA: C26H33BrN2O5
MOLECULAR WEIGHT: 533.45462
SMILES: CCOC1=C(C(=CC(=C1)C2C(C(=C)NC3=C2C(=O)CC(C3)(C)C)C(=O)N4CCOCC4)Br)OC
Structure:
CAS RN: 6689-91-4
CAS Name: 5,5-diphenyl-4-propan-2-yl-2-oxazolidinone
OPENEYE Name: 4-isopropyl-5,5-diphenyl-oxazolidin-2-one
IUPAC Name: 5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C18H19NO2
MOLECULAR WEIGHT: 281.34896
SMILES: CC(C)C1C(OC(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 5415-97-4
CAS Name: 2-methyl-N-[1-[4-methyl-5-[[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]ethyl]benzamide
OPENEYE Name: 2-methyl-N-[1-[4-methyl-5-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
IUPAC Name: 2-methyl-N-[1-[4-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
SYSTEMATIC NAME: 2-methyl-N-[1-[4-methyl-5-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
MOLECULAR FORMULA: C19H22N6O2S2
MOLECULAR WEIGHT: 430.54698
SMILES: CC1=CC=CC=C1C(=O)NC(C)C2=NN=C(N2C)SCC(=O)NC3=NC(=CS3)C
Structure:
CAS RN: 7226-63-3
CAS Name: 2-acetamido-3-(1H-imidazol-5-yl)-N-methylpropanamide
OPENEYE Name: 2-acetamido-3-(1H-imidazol-5-yl)-N-methyl-propanamide
IUPAC Name: 2-acetamido-3-(1H-imidazol-5-yl)-N-methylpropanamide
SYSTEMATIC NAME: 2-acetamido-3-(1H-imidazol-5-yl)-N-methyl-propanamide
MOLECULAR FORMULA: C9H14N4O2
MOLECULAR WEIGHT: 210.23306
SMILES: CC(=O)NC(CC1=CN=CN1)C(=O)NC
Structure:
CAS RN: 7226-62-2
CAS Name: 2-(1-pyrrolidinyl)naphthalene-1,4-dione
OPENEYE Name: 2-pyrrolidin-1-ylnaphthalene-1,4-dione
IUPAC Name: 2-pyrrolidin-1-ylnaphthalene-1,4-dione
SYSTEMATIC NAME: 2-pyrrolidin-1-ylnaphthalene-1,4-dione
MOLECULAR FORMULA: C14H13NO2
MOLECULAR WEIGHT: 227.25852
SMILES: C1CCN(C1)C2=CC(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 4945-03-3
CAS Name: bismuth (2-oxonio-1-cyclohepta-2,4,6-trienylidene)oxonium
OPENEYE Name: bismuth (2-oxoniocyclohepta-2,4,6-trien-1-ylidene)oxonium
IUPAC Name: bismuth (2-oxoniocyclohepta-2,4,6-trien-1-ylidene)oxidanium
SYSTEMATIC NAME: bismuth (2-oxidaniumylcyclohepta-2,4,6-trien-1-ylidene)oxidanium
MOLECULAR FORMULA: C14H16BiO4+7
MOLECULAR WEIGHT: 457.25482
SMILES: C1=CC=C(C(=[OH+])C=C1)[OH2+].C1=CC=C(C(=[OH+])C=C1)[OH2+].[Bi+3]
Structure:
CAS RN: 6365-88-4
CAS Name: 3-(4-methylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-propenamide
OPENEYE Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(p-tolyl)prop-2-enamide
IUPAC Name: 3-(4-methylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide
SYSTEMATIC NAME: 3-(4-methylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide
MOLECULAR FORMULA: C17H13N3O3S
MOLECULAR WEIGHT: 339.36842
SMILES: CC1=CC=C(C=C1)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 6360-36-7
CAS Name: N-(2,6-diethylphenyl)-2-(2-furanyl)-4-quinolinecarboxamide
OPENEYE Name: N-(2,6-diethylphenyl)-2-(2-furyl)quinoline-4-carboxamide
IUPAC Name: N-(2,6-diethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
SYSTEMATIC NAME: N-(2,6-diethylphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
MOLECULAR FORMULA: C24H22N2O2
MOLECULAR WEIGHT: 370.44368
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CO4
Structure:
CAS RN: 4552-93-6
CAS Name: 3-(acetyloxymethyl)-7-[[[5-[(4-bromo-2-chlorophenoxy)methyl]-2-furanyl]-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: 3-(acetoxymethyl)-7-[[5-[(4-bromo-2-chloro-phenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: 3-(acetyloxymethyl)-7-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-(acetyloxymethyl)-7-[[5-[(4-bromanyl-2-chloranyl-phenoxy)methyl]furan-2-yl]carbonylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C22H18BrClN2O8S
MOLECULAR WEIGHT: 585.80892
SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=CC=C(O3)COC4=C(C=C(C=C4)Br)Cl)SC1)C(=O)O
Structure:
CAS RN: 4610-45-1
CAS Name: 1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphoryl-2,2-dimethyl-1-propanol
OPENEYE Name: 1-bis(2-isopropyl-5-methyl-cyclohexoxy)phosphoryl-2,2-dimethyl-propan-1-ol
IUPAC Name: 1-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]phosphoryl-2,2-dimethylpropan-1-ol
SYSTEMATIC NAME: 1-bis[(5-methyl-2-propan-2-yl-cyclohexyl)oxy]phosphoryl-2,2-dimethyl-propan-1-ol
MOLECULAR FORMULA: C25H49O4P
MOLECULAR WEIGHT: 444.627921
SMILES: CC1CCC(C(C1)OP(=O)(C(C(C)(C)C)O)OC2CC(CCC2C(C)C)C)C(C)C
Structure:
CAS RN: 5276-38-0
CAS Name: N-[1-(3-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-(1-oxo-2-thiophen-2-ylethyl)benzohydrazide
OPENEYE Name: N-[1-(3-chlorophenyl)-2,5-dioxo-pyrrolidin-3-yl]-N'-[2-(2-thienyl)acetyl]benzohydrazide
IUPAC Name: N-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide
SYSTEMATIC NAME: N-[1-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-N'-(2-thiophen-2-ylethanoyl)benzohydrazide
MOLECULAR FORMULA: C23H18ClN3O4S
MOLECULAR WEIGHT: 467.92472
SMILES: C1C(C(=O)N(C1=O)C2=CC(=CC=C2)Cl)N(C(=O)C3=CC=CC=C3)NC(=O)CC4=CC=CS4
Structure:
CAS RN: 6377-02-2
CAS Name: 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pentanone
OPENEYE Name: 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
IUPAC Name: 1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
SYSTEMATIC NAME: 1-(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
MOLECULAR FORMULA: C15H20FNO
MOLECULAR WEIGHT: 249.323803
SMILES: CCCCC(=O)N1C(CCC2=C1C=CC(=C2)F)C
Structure:
CAS RN: 6667-07-8
CAS Name: 1-(dimethylamino)-3-(2-methoxy-5-methylphenyl)urea
OPENEYE Name: 1-(dimethylamino)-3-(2-methoxy-5-methyl-phenyl)urea
IUPAC Name: 1-(dimethylamino)-3-(2-methoxy-5-methylphenyl)urea
SYSTEMATIC NAME: 1-(dimethylamino)-3-(2-methoxy-5-methyl-phenyl)urea
MOLECULAR FORMULA: C11H17N3O2
MOLECULAR WEIGHT: 223.27158
SMILES: CC1=CC(=C(C=C1)OC)NC(=O)NN(C)C
Structure:
CAS RN: 6664-62-6
CAS Name: N-(4-chlorophenyl)carbamic acid 1,3-benzodioxol-5-ylmethyl ester
OPENEYE Name: 1,3-benzodioxol-5-ylmethyl N-(4-chlorophenyl)carbamate
IUPAC Name: 1,3-benzodioxol-5-ylmethyl N-(4-chlorophenyl)carbamate
SYSTEMATIC NAME: 1,3-benzodioxol-5-ylmethyl N-(4-chlorophenyl)carbamate
MOLECULAR FORMULA: C15H12ClNO4
MOLECULAR WEIGHT: 305.71308
SMILES: C1OC2=C(O1)C=C(C=C2)COC(=O)NC3=CC=C(C=C3)Cl
Structure:
CAS RN: 6001-71-4
CAS Name: N-butan-2-yl-4-butyl-N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]benzamide
OPENEYE Name: 4-butyl-N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-N-sec-butyl-benzamide
IUPAC Name: N-butan-2-yl-4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SYSTEMATIC NAME: N-butan-2-yl-4-butyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]benzamide
MOLECULAR FORMULA: C21H29N3O3
MOLECULAR WEIGHT: 371.47326
SMILES: CCCCC1=CC=C(C=C1)C(=O)N(CC(=O)NC2=NOC(=C2)C)C(C)CC
Structure:
CAS RN: 6001-10-1
CAS Name: N-butyl-N-[2-oxo-2-(2-thiazolylamino)ethyl]cyclopentanecarboxamide
OPENEYE Name: N-butyl-N-[2-oxo-2-(thiazol-2-ylamino)ethyl]cyclopentanecarboxamide
IUPAC Name: N-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentanecarboxamide
SYSTEMATIC NAME: N-butyl-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentanecarboxamide
MOLECULAR FORMULA: C15H23N3O2S
MOLECULAR WEIGHT: 309.42702
SMILES: CCCCN(CC(=O)NC1=NC=CS1)C(=O)C2CCCC2
Structure:
CAS RN: 5496-83-3
CAS Name: N-[1-[1-[2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl]-2-benzimidazolyl]ethyl]-4-methylbenzamide
OPENEYE Name: N-[1-[1-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl]benzimidazol-2-yl]ethyl]-4-methyl-benzamide
IUPAC Name: N-[1-[1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
SYSTEMATIC NAME: N-[1-[1-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]ethyl]-4-methyl-benzamide
MOLECULAR FORMULA: C28H32N4O2
MOLECULAR WEIGHT: 456.57928
SMILES: CCCN1C(=CC(=C1C)C(=O)CN2C3=CC=CC=C3N=C2C(C)NC(=O)C4=CC=C(C=C4)C)C
Structure:
CAS RN: 21991-72-0
CAS Name: 2-methylpropyl 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: isobutyl 2-(trimethylammonio)ethyl phosphate
IUPAC Name: 2-methylpropyl 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: 2-methylpropyl 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C9H22NO4P
MOLECULAR WEIGHT: 239.249041
SMILES: CC(C)COP(=O)([O-])OCC[N+](C)(C)C
Structure:
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