CAS RN: 85896-13-5
CAS Name: 1,4-dimethoxy-2-[(4-methylphenyl)thio]-5-nitrobenzene
OPENEYE Name: 1,4-dimethoxy-2-nitro-5-(p-tolylsulfanyl)benzene
IUPAC Name: 1,4-dimethoxy-2-(4-methylphenyl)sulfanyl-5-nitrobenzene
SYSTEMATIC NAME: 1,4-dimethoxy-2-(4-methylphenyl)sulfanyl-5-nitro-benzene
MOLECULAR FORMULA: C15H15NO4S
MOLECULAR WEIGHT: 305.3489
SMILES: CC1=CC=C(C=C1)SC2=C(C=C(C(=C2)OC)[N+](=O)[O-])OC
Structure:
CAS RN: 6109-85-9
CAS Name: 3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide
OPENEYE Name: 3-cyclopentyl-N-(5-methyl-2-pyridyl)propanamide
IUPAC Name: 3-cyclopentyl-N-(5-methylpyridin-2-yl)propanamide
SYSTEMATIC NAME: 3-cyclopentyl-N-(5-methylpyridin-2-yl)propanamide
MOLECULAR FORMULA: C14H20N2O
MOLECULAR WEIGHT: 232.3214
SMILES: CC1=CN=C(C=C1)NC(=O)CCC2CCCC2
Structure:
CAS RN: 6428-70-2
CAS Name: 2-ethyl-N-(phenylmethyl)butanamide
OPENEYE Name: N-benzyl-2-ethyl-butanamide
IUPAC Name: N-benzyl-2-ethylbutanamide
SYSTEMATIC NAME: 2-ethyl-N-(phenylmethyl)butanamide
MOLECULAR FORMULA: C13H19NO
MOLECULAR WEIGHT: 205.29606
SMILES: CCC(CC)C(=O)NCC1=CC=CC=C1
Structure:
CAS RN: 5665-12-3
CAS Name: N-(2,5-dimethylphenyl)-3,5-dimethoxybenzamide
OPENEYE Name: N-(2,5-dimethylphenyl)-3,5-dimethoxy-benzamide
IUPAC Name: N-(2,5-dimethylphenyl)-3,5-dimethoxybenzamide
SYSTEMATIC NAME: N-(2,5-dimethylphenyl)-3,5-dimethoxy-benzamide
MOLECULAR FORMULA: C17H19NO3
MOLECULAR WEIGHT: 285.33766
SMILES: CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=CC(=C2)OC)OC
Structure:
CAS RN: 125080-93-5
CAS Name: N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide
OPENEYE Name: N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide
IUPAC Name: N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide
SYSTEMATIC NAME: N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)ethanamide
MOLECULAR FORMULA: C14H18N2O
MOLECULAR WEIGHT: 230.30552
SMILES: CC(=O)NC1=C2CCCC2=NC3=C1CCCC3
Structure:
CAS RN: 6119-40-0
CAS Name: N-(3-chloro-4-methylphenyl)-3-methylbutanamide
OPENEYE Name: N-(3-chloro-4-methyl-phenyl)-3-methyl-butanamide
IUPAC Name: N-(3-chloro-4-methylphenyl)-3-methylbutanamide
SYSTEMATIC NAME: N-(3-chloranyl-4-methyl-phenyl)-3-methyl-butanamide
MOLECULAR FORMULA: C12H16ClNO
MOLECULAR WEIGHT: 225.71454
SMILES: CC1=C(C=C(C=C1)NC(=O)CC(C)C)Cl
Structure:
CAS RN: 64544-18-9
CAS Name: 4-fluoro-N-[2-(4-morpholinyl)ethyl]benzamide
OPENEYE Name: 4-fluoro-N-(2-morpholinoethyl)benzamide
IUPAC Name: 4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SYSTEMATIC NAME: 4-fluoranyl-N-(2-morpholin-4-ylethyl)benzamide
MOLECULAR FORMULA: C13H17FN2O2
MOLECULAR WEIGHT: 252.284683
SMILES: C1COCCN1CCNC(=O)C2=CC=C(C=C2)F
Structure:
CAS RN: 75483-02-2
CAS Name: 4-acetyloxy-1-methyl-2-oxo-3-quinolinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-acetoxy-1-methyl-2-oxo-quinoline-3-carboxylate
IUPAC Name: ethyl 4-acetyloxy-1-methyl-2-oxoquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 4-acetyloxy-1-methyl-2-oxidanylidene-quinoline-3-carboxylate
MOLECULAR FORMULA: C15H15NO5
MOLECULAR WEIGHT: 289.2833
SMILES: CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)OC(=O)C
Structure:
CAS RN: 5937-25-7
CAS Name: N-(5-chloro-4-hydroxy-2,3-dimethylphenyl)-4-methylbenzenesulfonamide
OPENEYE Name: N-(5-chloro-4-hydroxy-2,3-dimethyl-phenyl)-4-methyl-benzenesulfonamide
IUPAC Name: N-(5-chloro-4-hydroxy-2,3-dimethylphenyl)-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-(5-chloranyl-2,3-dimethyl-4-oxidanyl-phenyl)-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C15H16ClNO3S
MOLECULAR WEIGHT: 325.81044
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C(=C2C)C)O)Cl
Structure:
CAS RN: 63870-38-2
CAS Name: 2-(hydroxymethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
OPENEYE Name: 2-(hydroxymethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
IUPAC Name: 2-(hydroxymethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
MOLECULAR FORMULA: C7H8N4O2
MOLECULAR WEIGHT: 180.16402
SMILES: CC1=CC(=O)N2C(=N1)N=C(N2)CO
Structure:
CAS RN: 293762-50-2
CAS Name: 2-(4-amino-3-chlorophenyl)-4-chloro-1H-benzimidazol-5-amine
OPENEYE Name: 2-(4-amino-3-chloro-phenyl)-4-chloro-1H-benzimidazol-5-amine
IUPAC Name: 2-(4-amino-3-chlorophenyl)-4-chloro-1H-benzimidazol-5-amine
SYSTEMATIC NAME: 2-(4-azanyl-3-chloranyl-phenyl)-4-chloranyl-1H-benzimidazol-5-amine
MOLECULAR FORMULA: C13H10Cl2N4
MOLECULAR WEIGHT: 293.1513
SMILES: C1=CC(=C(C=C1C2=NC3=C(N2)C=CC(=C3Cl)N)Cl)N
Structure:
CAS RN: 1849-86-1
CAS Name: 1-(1,3-benzothiazol-2-yl)-3-phenylthiourea
OPENEYE Name: 1-(1,3-benzothiazol-2-yl)-3-phenyl-thiourea
IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(1,3-benzothiazol-2-yl)-3-phenyl-thiourea
MOLECULAR FORMULA: C14H11N3S2
MOLECULAR WEIGHT: 285.38724
SMILES: C1=CC=C(C=C1)NC(=S)NC2=NC3=CC=CC=C3S2
Structure:
CAS RN: 353509-29-2
CAS Name: [5-(4-methoxy-2-nitrophenyl)-2-furanyl]methanol
OPENEYE Name: [5-(4-methoxy-2-nitro-phenyl)-2-furyl]methanol
IUPAC Name: [5-(4-methoxy-2-nitrophenyl)furan-2-yl]methanol
SYSTEMATIC NAME: [5-(4-methoxy-2-nitro-phenyl)furan-2-yl]methanol
MOLECULAR FORMULA: C12H11NO5
MOLECULAR WEIGHT: 249.21944
SMILES: COC1=CC(=C(C=C1)C2=CC=C(O2)CO)[N+](=O)[O-]
Structure:
CAS RN: 69920-36-1
CAS Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-1-cyclopentanone
OPENEYE Name: (2E)-2-(1,3-benzodioxol-5-ylmethylene)cyclopentanone
IUPAC Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-one
SYSTEMATIC NAME: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-one
MOLECULAR FORMULA: C13H12O3
MOLECULAR WEIGHT: 216.23258
SMILES: C1C/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)C1
Structure:
CAS RN: 436100-00-4
CAS Name: 3-(6-amino-1H-benzimidazol-2-yl)phenol
OPENEYE Name: 3-(6-amino-1H-benzimidazol-2-yl)phenol
IUPAC Name: 3-(6-amino-1H-benzimidazol-2-yl)phenol
SYSTEMATIC NAME: 3-(6-azanyl-1H-benzimidazol-2-yl)phenol
MOLECULAR FORMULA: C13H11N3O
MOLECULAR WEIGHT: 225.24594
SMILES: C1=CC(=CC(=C1)O)C2=NC3=C(N2)C=C(C=C3)N
Structure:
CAS RN: 66063-15-8
CAS Name: N-[(4-chlorophenyl)methyl]cyclopentanamine
OPENEYE Name: N-[(4-chlorophenyl)methyl]cyclopentanamine
IUPAC Name: N-[(4-chlorophenyl)methyl]cyclopentanamine
SYSTEMATIC NAME: N-[(4-chlorophenyl)methyl]cyclopentanamine
MOLECULAR FORMULA: C12H16ClN
MOLECULAR WEIGHT: 209.71514
SMILES: C1CCC(C1)NCC2=CC=C(C=C2)Cl
Structure:
CAS RN: 15083-26-8
CAS Name: (4Z)-1-phenyl-4-(phenylmethylene)pyrazolidine-3,5-dione
OPENEYE Name: (4Z)-4-benzylidene-1-phenyl-pyrazolidine-3,5-dione
IUPAC Name: (4Z)-4-benzylidene-1-phenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: (4Z)-1-phenyl-4-(phenylmethylidene)pyrazolidine-3,5-dione
MOLECULAR FORMULA: C16H12N2O2
MOLECULAR WEIGHT: 264.27868
SMILES: C1=CC=C(C=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=CC=C3
Structure:
CAS RN: 112709-60-1
CAS Name: (1S,2S)-2-(4-phenyl-1-piperidinyl)-1-cyclohexanol
OPENEYE Name: (1S,2S)-2-(4-phenyl-1-piperidyl)cyclohexanol
IUPAC Name: (1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
SYSTEMATIC NAME: (1S,2S)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
MOLECULAR FORMULA: C17H25NO
MOLECULAR WEIGHT: 259.3865
SMILES: C1CC[C@@H]([C@H](C1)N2CCC(CC2)C3=CC=CC=C3)O
Structure:
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