CAS RN: 52545-13-8
CAS Name: 2-[1-(2-phenylethylamino)propylidene]cyclopentane-1,3-dione
OPENEYE Name: 2-[1-(2-phenylethylamino)propylidene]cyclopentane-1,3-dione
IUPAC Name: 2-[1-(2-phenylethylamino)propylidene]cyclopentane-1,3-dione
SYSTEMATIC NAME: 2-[1-(2-phenylethylamino)propylidene]cyclopentane-1,3-dione
MOLECULAR FORMULA: C16H19NO2
MOLECULAR WEIGHT: 257.32756
SMILES: CCC(=C1C(=O)CCC1=O)NCCC2=CC=CC=C2
Structure:
CAS RN: 16690-04-3
CAS Name: 2-benzoyl-5,5-dimethylcyclohexane-1,3-dione
OPENEYE Name: 2-benzoyl-5,5-dimethyl-cyclohexane-1,3-dione
IUPAC Name: 2-benzoyl-5,5-dimethylcyclohexane-1,3-dione
SYSTEMATIC NAME: 5,5-dimethyl-2-(phenylcarbonyl)cyclohexane-1,3-dione
MOLECULAR FORMULA: C15H16O3
MOLECULAR WEIGHT: 244.28574
SMILES: CC1(CC(=O)C(C(=O)C1)C(=O)C2=CC=CC=C2)C
Structure:
CAS RN: 6151-92-4
CAS Name: 4-hydroxy-5-methyl-2-[(4-methyl-2-quinazolinyl)amino]-1H-pyrimidin-6-one
OPENEYE Name: 4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
IUPAC Name: 4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-methyl-2-[(4-methylquinazolin-2-yl)amino]-4-oxidanyl-1H-pyrimidin-6-one
MOLECULAR FORMULA: C14H13N5O2
MOLECULAR WEIGHT: 283.28532
SMILES: CC1=C(N=C(NC1=O)NC2=NC3=CC=CC=C3C(=N2)C)O
Structure:
CAS RN: 20555-67-3
CAS Name: 4-amino-N-(3,4-dimethylphenyl)benzenesulfonamide
OPENEYE Name: 4-amino-N-(3,4-dimethylphenyl)benzenesulfonamide
IUPAC Name: 4-amino-N-(3,4-dimethylphenyl)benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-(3,4-dimethylphenyl)benzenesulfonamide
MOLECULAR FORMULA: C14H16N2O2S
MOLECULAR WEIGHT: 276.35404
SMILES: CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N)C
Structure:
CAS RN: 16803-92-2
CAS Name: 4-amino-N-(4-chlorophenyl)benzenesulfonamide
OPENEYE Name: 4-amino-N-(4-chlorophenyl)benzenesulfonamide
IUPAC Name: 4-amino-N-(4-chlorophenyl)benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-(4-chlorophenyl)benzenesulfonamide
MOLECULAR FORMULA: C12H11ClN2O2S
MOLECULAR WEIGHT: 282.74594
SMILES: C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=C(C=C2)Cl
Structure:
CAS RN: 347319-95-3
CAS Name: 2-(3-formyl-1-indolyl)-N-(2-furanylmethyl)acetamide
OPENEYE Name: 2-(3-formylindol-1-yl)-N-(2-furylmethyl)acetamide
IUPAC Name: 2-(3-formylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-2-(3-methanoylindol-1-yl)ethanamide
MOLECULAR FORMULA: C16H14N2O3
MOLECULAR WEIGHT: 282.29396
SMILES: C1=CC=C2C(=C1)C(=CN2CC(=O)NCC3=CC=CO3)C=O
Structure:
CAS RN: 111750-47-1
CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-piperidinyl)acetamide
OPENEYE Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1-piperidyl)acetamide
IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
SYSTEMATIC NAME: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-yl-ethanamide
MOLECULAR FORMULA: C11H18N4OS
MOLECULAR WEIGHT: 254.35182
SMILES: CCC1=NN=C(S1)NC(=O)CN2CCCCC2
Structure:
CAS RN: 59214-44-7
CAS Name: 1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone
OPENEYE Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
IUPAC Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
SYSTEMATIC NAME: 1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
MOLECULAR FORMULA: C12H15NO3S
MOLECULAR WEIGHT: 253.3174
SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2
Structure:
CAS RN: 52943-89-2
CAS Name: 1,3-dimethyl-2-oxo-8-(1-pyridin-1-iumyl)-6-purinolate
OPENEYE Name: 1,3-dimethyl-2-oxo-8-pyridin-1-ium-1-yl-purin-6-olate
IUPAC Name: 1,3-dimethyl-2-oxo-8-pyridin-1-ium-1-ylpurin-6-olate
SYSTEMATIC NAME: 1,3-dimethyl-2-oxidanylidene-8-pyridin-1-ium-1-yl-purin-6-olate
MOLECULAR FORMULA: C12H11N5O2
MOLECULAR WEIGHT: 257.24804
SMILES: CN1C(=C2C(=NC(=N2)[N+]3=CC=CC=C3)N(C1=O)C)[O-]
Structure:
CAS RN: 24269-63-4
CAS Name: (2S)-1-anilino-3-methoxy-2-propanol
OPENEYE Name: (2S)-1-anilino-3-methoxy-propan-2-ol
IUPAC Name: (2S)-1-anilino-3-methoxypropan-2-ol
SYSTEMATIC NAME: (2S)-1-methoxy-3-phenylazanyl-propan-2-ol
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: COC[C@H](CNC1=CC=CC=C1)O
Structure:
CAS RN: 24269-62-3
CAS Name: (2R)-1-anilino-3-methoxy-2-propanol
OPENEYE Name: (2R)-1-anilino-3-methoxy-propan-2-ol
IUPAC Name: (2R)-1-anilino-3-methoxypropan-2-ol
SYSTEMATIC NAME: (2R)-1-methoxy-3-phenylazanyl-propan-2-ol
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: COC[C@@H](CNC1=CC=CC=C1)O
Structure:
CAS RN: 128366-13-2
CAS Name: 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yldisulfanyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
OPENEYE Name: 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yldisulfanyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
IUPAC Name: 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yldisulfanyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SYSTEMATIC NAME: 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yldisulfanyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
MOLECULAR FORMULA: C12H14N4S2
MOLECULAR WEIGHT: 278.39636
SMILES: C1CC2=NC(=CN2C1)SSC3=CN4CCCC4=N3
Structure:
CAS RN: 5192-84-7
CAS Name: 2-phenylbenzene-1,4-dicarboxamide
OPENEYE Name: 2-phenylterephthalamide
IUPAC Name: 2-phenylbenzene-1,4-dicarboxamide
SYSTEMATIC NAME: 2-phenylbenzene-1,4-dicarboxamide
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: C1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)N)C(=O)N
Structure:
CAS RN: 6918-37-2
CAS Name: (E)-N-(4-methylphenyl)-3-phenyl-2-propenamide
OPENEYE Name: (E)-3-phenyl-N-(p-tolyl)prop-2-enamide
IUPAC Name: (E)-N-(4-methylphenyl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-N-(4-methylphenyl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C16H15NO
MOLECULAR WEIGHT: 237.2964
SMILES: CC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 5160-05-4
CAS Name: (E)-N-(4-methylphenyl)-3-phenyl-2-propenamide
OPENEYE Name: (E)-3-phenyl-N-(p-tolyl)prop-2-enamide
IUPAC Name: (E)-N-(4-methylphenyl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-N-(4-methylphenyl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C16H15NO
MOLECULAR WEIGHT: 237.2964
SMILES: CC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 60024-09-1
CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-methylsulfonylpiperazine
OPENEYE Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-methylsulfonyl-piperazine
IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-methylsulfonylpiperazine
SYSTEMATIC NAME: 1-[(2,3-dimethoxyphenyl)methyl]-4-methylsulfonyl-piperazine
MOLECULAR FORMULA: C14H22N2O4S
MOLECULAR WEIGHT: 314.40048
SMILES: COC1=CC=CC(=C1OC)CN2CCN(CC2)S(=O)(=O)C
Structure:
CAS RN: 6044-50-4
CAS Name: 1-pentan-3-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
OPENEYE Name: 1-(1-ethylpropyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
IUPAC Name: 1-pentan-3-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SYSTEMATIC NAME: 1-pentan-3-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
MOLECULAR FORMULA: C19H32N2O3
MOLECULAR WEIGHT: 336.46898
SMILES: CCC(CC)N1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC
Structure:
CAS RN: 38507-96-9
CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylthiourea
OPENEYE Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-thiourea
IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylthiourea
SYSTEMATIC NAME: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-thiourea
MOLECULAR FORMULA: C17H20N2O2S
MOLECULAR WEIGHT: 316.4179
SMILES: COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=CC=C2)OC
Structure:
CAS RN: 15115-52-3
CAS Name: 4-bromo-1-phenylpyrazole
OPENEYE Name: 4-bromo-1-phenyl-pyrazole
IUPAC Name: 4-bromo-1-phenylpyrazole
SYSTEMATIC NAME: 4-bromanyl-1-phenyl-pyrazole
MOLECULAR FORMULA: C9H7BrN2
MOLECULAR WEIGHT: 223.06928
SMILES: C1=CC=C(C=C1)N2C=C(C=N2)Br
Structure:
CAS RN: 4591-16-6
CAS Name: (E)-2,3-diphenyl-2-butenedinitrile
OPENEYE Name: (E)-2,3-diphenylbut-2-enedinitrile
IUPAC Name: (E)-2,3-diphenylbut-2-enedinitrile
SYSTEMATIC NAME: (E)-2,3-diphenylbut-2-enedinitrile
MOLECULAR FORMULA: C16H10N2
MOLECULAR WEIGHT: 230.264
SMILES: C1=CC=C(C=C1)/C(=C(\C#N)/C2=CC=CC=C2)/C#N
Structure:
CAS RN: 2450-55-7
CAS Name: (E)-2,3-diphenyl-2-butenedinitrile
OPENEYE Name: (E)-2,3-diphenylbut-2-enedinitrile
IUPAC Name: (E)-2,3-diphenylbut-2-enedinitrile
SYSTEMATIC NAME: (E)-2,3-diphenylbut-2-enedinitrile
MOLECULAR FORMULA: C16H10N2
MOLECULAR WEIGHT: 230.264
SMILES: C1=CC=C(C=C1)/C(=C(\C#N)/C2=CC=CC=C2)/C#N
Structure:
CAS RN: 6064-01-3
CAS Name: N-(2-chloro-5-methoxyphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide
OPENEYE Name: N-(2-chloro-5-methoxy-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide
IUPAC Name: N-(2-chloro-5-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2-chloranyl-5-methoxy-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C15H16ClN3O2S
MOLECULAR WEIGHT: 337.82444
SMILES: CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2)OC)Cl)C
Structure:
CAS RN: 51821-10-4
CAS Name: (E)-3-(2-furanyl)-N-[(3-nitroanilino)-sulfanylidenemethyl]-2-propenamide
OPENEYE Name: (E)-3-(2-furyl)-N-[(3-nitrophenyl)carbamothioyl]prop-2-enamide
IUPAC Name: (E)-3-(furan-2-yl)-N-[(3-nitrophenyl)carbamothioyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(furan-2-yl)-N-[(3-nitrophenyl)carbamothioyl]prop-2-enamide
MOLECULAR FORMULA: C14H11N3O4S
MOLECULAR WEIGHT: 317.31984
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)/C=C/C2=CC=CO2
Structure:
CAS RN: 18559-97-2
CAS Name: N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
OPENEYE Name: N-[4-[(E)-styryl]phenyl]acetamide
IUPAC Name: N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(E)-2-phenylethenyl]phenyl]ethanamide
MOLECULAR FORMULA: C16H15NO
MOLECULAR WEIGHT: 237.2964
SMILES: CC(=O)NC1=CC=C(C=C1)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 17244-83-6
CAS Name: (1R)-1-(1,3-benzothiazol-2-yl)ethanol
OPENEYE Name: (1R)-1-(1,3-benzothiazol-2-yl)ethanol
IUPAC Name: (1R)-1-(1,3-benzothiazol-2-yl)ethanol
SYSTEMATIC NAME: (1R)-1-(1,3-benzothiazol-2-yl)ethanol
MOLECULAR FORMULA: C9H9NOS
MOLECULAR WEIGHT: 179.23886
SMILES: C[C@H](C1=NC2=CC=CC=C2S1)O
Structure:
CAS RN: 5373-72-8
CAS Name: 4-phenyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-phenyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-phenyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-phenyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C8H7N3S
MOLECULAR WEIGHT: 177.22628
SMILES: C1=CC=C(C=C1)N2C=NNC2=S
Structure:
CAS RN: 99199-05-0
CAS Name: 1-(benzenesulfonyl)-1-cyclopropanecarboxylic acid
OPENEYE Name: 1-(benzenesulfonyl)cyclopropanecarboxylic acid
IUPAC Name: 1-(benzenesulfonyl)cyclopropane-1-carboxylic acid
SYSTEMATIC NAME: 1-(phenylsulfonyl)cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C10H10O4S
MOLECULAR WEIGHT: 226.249
SMILES: C1CC1(C(=O)O)S(=O)(=O)C2=CC=CC=C2
Structure:
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