CAS RN: 333312-06-4
CAS Name: 7-methyl-2-thieno[2,3-b]quinolinecarboxylic acid
OPENEYE Name: 7-methylthieno[2,3-b]quinoline-2-carboxylic acid
IUPAC Name: 7-methylthieno[2,3-b]quinoline-2-carboxylic acid
SYSTEMATIC NAME: 7-methylthieno[2,3-b]quinoline-2-carboxylic acid
MOLECULAR FORMULA: C13H9NO2S
MOLECULAR WEIGHT: 243.28106
SMILES: CC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)O
Structure:
CAS RN: 42017-88-9
CAS Name: 2-(4-acetylphenoxy)acetamide
OPENEYE Name: 2-(4-acetylphenoxy)acetamide
IUPAC Name: 2-(4-acetylphenoxy)acetamide
SYSTEMATIC NAME: 2-(4-ethanoylphenoxy)ethanamide
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: CC(=O)C1=CC=C(C=C1)OCC(=O)N
Structure:
CAS RN: 352673-16-6
CAS Name: 1-[(2-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid
OPENEYE Name: 1-(2-chlorobenzoyl)piperidine-4-carboxylic acid
IUPAC Name: 1-(2-chlorobenzoyl)piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-(2-chlorophenyl)carbonylpiperidine-4-carboxylic acid
MOLECULAR FORMULA: C13H14ClNO3
MOLECULAR WEIGHT: 267.70816
SMILES: C1CN(CCC1C(=O)O)C(=O)C2=CC=CC=C2Cl
Structure:
CAS RN: 401581-34-8
CAS Name: 1-[(4-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid
OPENEYE Name: 1-(4-methylbenzoyl)piperidine-4-carboxylic acid
IUPAC Name: 1-(4-methylbenzoyl)piperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-(4-methylphenyl)carbonylpiperidine-4-carboxylic acid
MOLECULAR FORMULA: C14H17NO3
MOLECULAR WEIGHT: 247.28968
SMILES: CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)O
Structure:
CAS RN: 346459-53-8
CAS Name: 3-[(3-fluorophenyl)methoxy]-4-methoxybenzaldehyde
OPENEYE Name: 3-[(3-fluorophenyl)methoxy]-4-methoxy-benzaldehyde
IUPAC Name: 3-[(3-fluorophenyl)methoxy]-4-methoxybenzaldehyde
SYSTEMATIC NAME: 3-[(3-fluorophenyl)methoxy]-4-methoxy-benzaldehyde
MOLECULAR FORMULA: C15H13FO3
MOLECULAR WEIGHT: 260.260323
SMILES: COC1=C(C=C(C=C1)C=O)OCC2=CC(=CC=C2)F
Structure:
CAS RN: 309726-20-3
CAS Name: 4-methyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-methyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-methyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-methyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C11H13N3OS
MOLECULAR WEIGHT: 235.30542
SMILES: CC1=CC=C(C=C1)OCC2=NNC(=S)N2C
Structure:
CAS RN: 120337-34-0
CAS Name: 5-prop-2-enyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
OPENEYE Name: 5-allyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
IUPAC Name: 5-prop-2-enyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
SYSTEMATIC NAME: 5-prop-2-enyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: C=CCN1C(=O)CCNC2=CC=CC=C21
Structure:
CAS RN: 120337-25-9
CAS Name: 1-acetyl-5-ethyl-2,3-dihydro-1,5-benzodiazepin-4-one
OPENEYE Name: 1-acetyl-5-ethyl-2,3-dihydro-1,5-benzodiazepin-4-one
IUPAC Name: 1-acetyl-5-ethyl-2,3-dihydro-1,5-benzodiazepin-4-one
SYSTEMATIC NAME: 1-ethanoyl-5-ethyl-2,3-dihydro-1,5-benzodiazepin-4-one
MOLECULAR FORMULA: C13H16N2O2
MOLECULAR WEIGHT: 232.27834
SMILES: CCN1C(=O)CCN(C2=CC=CC=C21)C(=O)C
Structure:
CAS RN: 51658-13-0
CAS Name: 2-[(2-hydrazinyl-4-pyrimidinyl)amino]benzoic acid
OPENEYE Name: 2-[(2-hydrazinopyrimidin-4-yl)amino]benzoic acid
IUPAC Name: 2-[(2-hydrazinylpyrimidin-4-yl)amino]benzoic acid
SYSTEMATIC NAME: 2-[(2-diazanylpyrimidin-4-yl)amino]benzoic acid
MOLECULAR FORMULA: C11H11N5O2
MOLECULAR WEIGHT: 245.23734
SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2)NN
Structure:
CAS RN: 23358-42-1
CAS Name: 3-[(2-ethoxy-2-oxoethyl)amino]benzoic acid
OPENEYE Name: 3-[(2-ethoxy-2-oxo-ethyl)amino]benzoic acid
IUPAC Name: 3-[(2-ethoxy-2-oxoethyl)amino]benzoic acid
SYSTEMATIC NAME: 3-[(2-ethoxy-2-oxidanylidene-ethyl)amino]benzoic acid
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: CCOC(=O)CNC1=CC=CC(=C1)C(=O)O
Structure:
CAS RN: 24033-09-8
CAS Name: 1,3,4-trimethyl-2,6-dioxo-5-pyrimidinecarboxaldehyde
OPENEYE Name: 1,3,4-trimethyl-2,6-dioxo-pyrimidine-5-carbaldehyde
IUPAC Name: 1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbaldehyde
SYSTEMATIC NAME: 1,3,4-trimethyl-2,6-bis(oxidanylidene)pyrimidine-5-carbaldehyde
MOLECULAR FORMULA: C8H10N2O3
MOLECULAR WEIGHT: 182.1766
SMILES: CC1=C(C(=O)N(C(=O)N1C)C)C=O
Structure:
CAS RN: 20688-72-6
CAS Name: (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid
OPENEYE Name: (2R)-2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid
IUPAC Name: (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid
SYSTEMATIC NAME: (2R)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C14H18O3
MOLECULAR WEIGHT: 234.29092
SMILES: C1CCC(CC1)[C@@](C2=CC=CC=C2)(C(=O)O)O
Structure:
CAS RN: 20688-71-5
CAS Name: (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid
OPENEYE Name: (2S)-2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid
IUPAC Name: (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid
SYSTEMATIC NAME: (2S)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C14H18O3
MOLECULAR WEIGHT: 234.29092
SMILES: C1CCC(CC1)[C@](C2=CC=CC=C2)(C(=O)O)O
Structure:
CAS RN: 61367-18-8
CAS Name: (2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
OPENEYE Name: (2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
IUPAC Name: (2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SYSTEMATIC NAME: (2-phenyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
MOLECULAR FORMULA: C19H20N2O4
MOLECULAR WEIGHT: 340.3731
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN=C2C3=CC=CC=C3
Structure:
CAS RN: 5850-43-1
CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
OPENEYE Name: 1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SYSTEMATIC NAME: 1-(3,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
MOLECULAR FORMULA: C17H19NO2S
MOLECULAR WEIGHT: 301.40326
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC3=CC=CC=C32)C
Structure:
CAS RN: 73331-36-9
CAS Name: 1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione
OPENEYE Name: 1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione
IUPAC Name: 1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione
SYSTEMATIC NAME: 1,3-dimethyl-6-[(4-methylphenyl)amino]pyrimidine-2,4-dione
MOLECULAR FORMULA: C13H15N3O2
MOLECULAR WEIGHT: 245.2771
SMILES: CC1=CC=C(C=C1)NC2=CC(=O)N(C(=O)N2C)C
Structure:
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