CAS RN: 206983-05-3
CAS Name: 3-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid
OPENEYE Name: 3-[[2-(2-thienyl)acetyl]amino]benzoic acid
IUPAC Name: 3-[(2-thiophen-2-ylacetyl)amino]benzoic acid
SYSTEMATIC NAME: 3-(2-thiophen-2-ylethanoylamino)benzoic acid
MOLECULAR FORMULA: C13H11NO3S
MOLECULAR WEIGHT: 261.29634
SMILES: C1=CC(=CC(=C1)NC(=O)CC2=CC=CS2)C(=O)O
Structure:
CAS RN: 53760-52-4
CAS Name: (4-chlorophenyl)-[4-(phenylmethyl)-1-piperidinyl]methanone
OPENEYE Name: (4-benzyl-1-piperidyl)-(4-chlorophenyl)methanone
IUPAC Name: (4-benzylpiperidin-1-yl)-(4-chlorophenyl)methanone
SYSTEMATIC NAME: (4-chlorophenyl)-[4-(phenylmethyl)piperidin-1-yl]methanone
MOLECULAR FORMULA: C19H20ClNO
MOLECULAR WEIGHT: 313.8212
SMILES: C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 141945-62-2
CAS Name: 1-methyl-3-nitro-4-phenoxy-2-quinolinone
OPENEYE Name: 1-methyl-3-nitro-4-phenoxy-quinolin-2-one
IUPAC Name: 1-methyl-3-nitro-4-phenoxyquinolin-2-one
SYSTEMATIC NAME: 1-methyl-3-nitro-4-phenoxy-quinolin-2-one
MOLECULAR FORMULA: C16H12N2O4
MOLECULAR WEIGHT: 296.27748
SMILES: CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])OC3=CC=CC=C3
Structure:
CAS RN: 5346-10-1
CAS Name: N-cycloheptyl-3-nitrobenzamide
OPENEYE Name: N-cycloheptyl-3-nitro-benzamide
IUPAC Name: N-cycloheptyl-3-nitrobenzamide
SYSTEMATIC NAME: N-cycloheptyl-3-nitro-benzamide
MOLECULAR FORMULA: C14H18N2O3
MOLECULAR WEIGHT: 262.30432
SMILES: C1CCCC(CC1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 128960-10-1
CAS Name: N-[1-(phenylmethyl)-4-piperidinyl]-2-propylpentanamide
OPENEYE Name: N-(1-benzyl-4-piperidyl)-2-propyl-pentanamide
IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-propylpentanamide
SYSTEMATIC NAME: N-[1-(phenylmethyl)piperidin-4-yl]-2-propyl-pentanamide
MOLECULAR FORMULA: C20H32N2O
MOLECULAR WEIGHT: 316.48088
SMILES: CCCC(CCC)C(=O)NC1CCN(CC1)CC2=CC=CC=C2
Structure:
CAS RN: 102207-07-8
CAS Name: (1-phenylcyclopentyl)-(1-piperidinyl)methanone
OPENEYE Name: (1-phenylcyclopentyl)-(1-piperidyl)methanone
IUPAC Name: (1-phenylcyclopentyl)-piperidin-1-ylmethanone
SYSTEMATIC NAME: (1-phenylcyclopentyl)-piperidin-1-yl-methanone
MOLECULAR FORMULA: C17H23NO
MOLECULAR WEIGHT: 257.37062
SMILES: C1CCN(CC1)C(=O)C2(CCCC2)C3=CC=CC=C3
Structure:
CAS RN: 34375-83-2
CAS Name: (E)-1-(2-furanyl)-4,4-dimethyl-1-penten-3-one
OPENEYE Name: (E)-1-(2-furyl)-4,4-dimethyl-pent-1-en-3-one
IUPAC Name: (E)-1-(furan-2-yl)-4,4-dimethylpent-1-en-3-one
SYSTEMATIC NAME: (E)-1-(furan-2-yl)-4,4-dimethyl-pent-1-en-3-one
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC(C)(C)C(=O)/C=C/C1=CC=CO1
Structure:
CAS RN: 5747-35-3
CAS Name: 1,5-dimethyl-2-phenyl-3-pyrazolethione
OPENEYE Name: 1,5-dimethyl-2-phenyl-pyrazole-3-thione
IUPAC Name: 1,5-dimethyl-2-phenylpyrazole-3-thione
SYSTEMATIC NAME: 1,5-dimethyl-2-phenyl-pyrazole-3-thione
MOLECULAR FORMULA: C11H12N2S
MOLECULAR WEIGHT: 204.29138
SMILES: CC1=CC(=S)N(N1C)C2=CC=CC=C2
Structure:
CAS RN: 17513-68-7
CAS Name: N-diphenylphosphinothioyl-N-methylmethanamine
OPENEYE Name: N-diphenylphosphinothioyl-N-methyl-methanamine
IUPAC Name: N-diphenylphosphinothioyl-N-methylmethanamine
SYSTEMATIC NAME: N-diphenylphosphinothioyl-N-methyl-methanamine
MOLECULAR FORMULA: C14H16NPS
MOLECULAR WEIGHT: 261.322301
SMILES: CN(C)P(=S)(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 122-67-8
CAS Name: (E)-3-phenyl-2-propenoic acid 2-methylpropyl ester
OPENEYE Name: isobutyl (E)-3-phenylprop-2-enoate
IUPAC Name: 2-methylpropyl (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: 2-methylpropyl (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C13H16O2
MOLECULAR WEIGHT: 204.26494
SMILES: CC(C)COC(=O)/C=C/C1=CC=CC=C1
Structure:
CAS RN: 2955-37-5
CAS Name: (R)-(4-bromophenyl)-phenylmethanol
OPENEYE Name: (R)-(4-bromophenyl)-phenyl-methanol
IUPAC Name: (R)-(4-bromophenyl)-phenylmethanol
SYSTEMATIC NAME: (R)-(4-bromophenyl)-phenyl-methanol
MOLECULAR FORMULA: C13H11BrO
MOLECULAR WEIGHT: 263.12984
SMILES: C1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)Br)O
Structure:
CAS RN: 95181-53-6
CAS Name: (1S,2S)-2-phenyl-1-cyclopropanecarboxylic acid
OPENEYE Name: (1S,2S)-2-phenylcyclopropanecarboxylic acid
IUPAC Name: (1S,2S)-2-phenylcyclopropane-1-carboxylic acid
SYSTEMATIC NAME: (1S,2S)-2-phenylcyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: C1[C@@H]([C@H]1C(=O)O)C2=CC=CC=C2
Structure:
CAS RN: 95-18-1
CAS Name: (1R,2S)-2-phenyl-1-cyclopropanecarboxylic acid
OPENEYE Name: (1R,2S)-2-phenylcyclopropanecarboxylic acid
IUPAC Name: (1R,2S)-2-phenylcyclopropane-1-carboxylic acid
SYSTEMATIC NAME: (1R,2S)-2-phenylcyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: C1[C@@H]([C@@H]1C(=O)O)C2=CC=CC=C2
Structure:
CAS RN: 693795-85-6
CAS Name: N-(5-bromo-2-pyridinyl)-2-thiophenesulfonamide
OPENEYE Name: N-(5-bromo-2-pyridyl)thiophene-2-sulfonamide
IUPAC Name: N-(5-bromopyridin-2-yl)thiophene-2-sulfonamide
SYSTEMATIC NAME: N-(5-bromanylpyridin-2-yl)thiophene-2-sulfonamide
MOLECULAR FORMULA: C9H7BrN2O2S2
MOLECULAR WEIGHT: 319.19808
SMILES: C1=CSC(=C1)S(=O)(=O)NC2=NC=C(C=C2)Br
Structure:
CAS RN: 110912-15-7
CAS Name: 3-chloro-1H-indole-2-carboxaldehyde
OPENEYE Name: 3-chloro-1H-indole-2-carbaldehyde
IUPAC Name: 3-chloro-1H-indole-2-carbaldehyde
SYSTEMATIC NAME: 3-chloranyl-1H-indole-2-carbaldehyde
MOLECULAR FORMULA: C9H6ClNO
MOLECULAR WEIGHT: 179.60304
SMILES: C1=CC=C2C(=C1)C(=C(N2)C=O)Cl
Structure:
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