CAS RN: 6082-54-8
CAS Name: N-(1-adamantyl)-3-oxobutanamide
OPENEYE Name: N-(1-adamantyl)-3-oxo-butanamide
IUPAC Name: N-(1-adamantyl)-3-oxobutanamide
SYSTEMATIC NAME: N-(1-adamantyl)-3-oxidanylidene-butanamide
MOLECULAR FORMULA: C14H21NO2
MOLECULAR WEIGHT: 235.32204
SMILES: CC(=O)CC(=O)NC12CC3CC(C1)CC(C3)C2
Structure:
CAS RN: 51838-07-4
CAS Name: 2-cyano-N-(4-ethoxyphenyl)acetamide
OPENEYE Name: 2-cyano-N-(4-ethoxyphenyl)acetamide
IUPAC Name: 2-cyano-N-(4-ethoxyphenyl)acetamide
SYSTEMATIC NAME: 2-cyano-N-(4-ethoxyphenyl)ethanamide
MOLECULAR FORMULA: C11H12N2O2
MOLECULAR WEIGHT: 204.22518
SMILES: CCOC1=CC=C(C=C1)NC(=O)CC#N
Structure:
CAS RN: 1960-77-6
CAS Name: 2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide
OPENEYE Name: 2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide
IUPAC Name: 2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-cyano-N-[3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C10H7F3N2O
MOLECULAR WEIGHT: 228.17059
SMILES: C1=CC(=CC(=C1)NC(=O)CC#N)C(F)(F)F
Structure:
CAS RN: 6641-63-0
CAS Name: N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide
OPENEYE Name: N-(2-tert-butyl-6-methyl-phenyl)-2-chloro-acetamide
IUPAC Name: N-(2-tert-butyl-6-methylphenyl)-2-chloroacetamide
SYSTEMATIC NAME: N-(2-tert-butyl-6-methyl-phenyl)-2-chloranyl-ethanamide
MOLECULAR FORMULA: C13H18ClNO
MOLECULAR WEIGHT: 239.74112
SMILES: CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CCl
Structure:
CAS RN: 5654-03-5
CAS Name: 3-[2-(2-furanyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
OPENEYE Name: 3-[2-(2-furyl)-2-oxo-ethyl]-3-hydroxy-indolin-2-one
IUPAC Name: 3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SYSTEMATIC NAME: 3-[2-(furan-2-yl)-2-oxidanylidene-ethyl]-3-oxidanyl-1H-indol-2-one
MOLECULAR FORMULA: C14H11NO4
MOLECULAR WEIGHT: 257.24144
SMILES: C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC=CO3)O
Structure:
CAS RN: 118515-48-3
CAS Name: 2-(hydroxymethyl)-5-[(4-methoxy-8-pyrimido[5,4-d]pyrimidinyl)amino]oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-[(4-methoxypyrimido[5,4-d]pyrimidin-8-yl)amino]tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-[(4-methoxypyrimido[5,4-d]pyrimidin-8-yl)amino]oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[(4-methoxypyrimido[5,4-d]pyrimidin-8-yl)amino]oxolane-3,4-diol
MOLECULAR FORMULA: C12H15N5O5
MOLECULAR WEIGHT: 309.278
SMILES: COC1=NC=NC2=C1N=CN=C2NC3C(C(C(O3)CO)O)O
Structure:
CAS RN: 128093-92-5
CAS Name: 4,9-bis(ethylthio)-1-nitroacridine
OPENEYE Name: 4,9-bis(ethylsulfanyl)-1-nitro-acridine
IUPAC Name: 4,9-bis(ethylsulfanyl)-1-nitroacridine
SYSTEMATIC NAME: 4,9-bis(ethylsulfanyl)-1-nitro-acridine
MOLECULAR FORMULA: C17H16N2O2S2
MOLECULAR WEIGHT: 344.45114
SMILES: CCSC1=CC=C(C2=C(C3=CC=CC=C3N=C12)SCC)[N+](=O)[O-]
Structure:
CAS RN: 148902-86-7
CAS Name: 4-(2-aminoethylamino)-10-methyl-1-nitro-9-acridinone
OPENEYE Name: 4-(2-aminoethylamino)-10-methyl-1-nitro-acridin-9-one
IUPAC Name: 4-(2-aminoethylamino)-10-methyl-1-nitroacridin-9-one
SYSTEMATIC NAME: 4-(2-azanylethylamino)-10-methyl-1-nitro-acridin-9-one
MOLECULAR FORMULA: C16H16N4O3
MOLECULAR WEIGHT: 312.32324
SMILES: CN1C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)NCCN)[N+](=O)[O-]
Structure:
CAS RN: 148902-85-6
CAS Name: N-(9-oxo-10H-acridin-1-yl)acetamide
OPENEYE Name: N-(9-oxo-10H-acridin-1-yl)acetamide
IUPAC Name: N-(9-oxo-10H-acridin-1-yl)acetamide
SYSTEMATIC NAME: N-(9-oxidanylidene-10H-acridin-1-yl)ethanamide
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 252.26798
SMILES: CC(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3N2
Structure:
CAS RN: 42036-65-7
CAS Name: 2-[(dimethylamino)methyl]-1-cyclohexanone hydrochloride
OPENEYE Name: 2-[(dimethylamino)methyl]cyclohexanone hydrochloride
IUPAC Name: 2-[(dimethylamino)methyl]cyclohexan-1-one hydrochloride
SYSTEMATIC NAME: 2-[(dimethylamino)methyl]cyclohexan-1-one hydrochloride
MOLECULAR FORMULA: C9H18ClNO
MOLECULAR WEIGHT: 191.69832
SMILES: CN(C)CC1CCCCC1=O.Cl
Structure:
CAS RN: 90128-96-4
CAS Name: 2-amino-3-mercapto-3-methylbutanoic acid methyl ester
OPENEYE Name: methyl 2-amino-3-methyl-3-sulfanyl-butanoate
IUPAC Name: methyl 2-amino-3-methyl-3-sulfanylbutanoate
SYSTEMATIC NAME: methyl 2-azanyl-3-methyl-3-sulfanyl-butanoate
MOLECULAR FORMULA: C6H13NO2S
MOLECULAR WEIGHT: 163.23792
SMILES: CC(C)(C(C(=O)OC)N)S
Structure:
CAS RN: 88599-38-6
CAS Name: 2-carbamoyloxy-5-chlorobenzoic acid ethyl ester
OPENEYE Name: ethyl 2-carbamoyloxy-5-chloro-benzoate
IUPAC Name: ethyl 2-carbamoyloxy-5-chlorobenzoate
SYSTEMATIC NAME: ethyl 2-aminocarbonyloxy-5-chloranyl-benzoate
MOLECULAR FORMULA: C10H10ClNO4
MOLECULAR WEIGHT: 243.6437
SMILES: CCOC(=O)C1=C(C=CC(=C1)Cl)OC(=O)N
Structure:
CAS RN: 94230-88-3
CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-methoxybenzamide
OPENEYE Name: N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-benzamide
IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-4-methoxybenzamide
SYSTEMATIC NAME: N-[2-(cyclohexen-1-yl)ethyl]-4-methoxy-benzamide
MOLECULAR FORMULA: C16H21NO2
MOLECULAR WEIGHT: 259.34344
SMILES: COC1=CC=C(C=C1)C(=O)NCCC2=CCCCC2
Structure:
CAS RN: 85302-07-4
CAS Name: 2-(dimethylaminomethylidene)cyclohexane-1,3-dione
OPENEYE Name: 2-(dimethylaminomethylene)cyclohexane-1,3-dione
IUPAC Name: 2-(dimethylaminomethylidene)cyclohexane-1,3-dione
SYSTEMATIC NAME: 2-(dimethylaminomethylidene)cyclohexane-1,3-dione
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: CN(C)C=C1C(=O)CCCC1=O
Structure:
CAS RN: 53416-46-9
CAS Name: 2-(4-methoxyphenyl)-4,4-dimethyl-5H-oxazole
OPENEYE Name: 2-(4-methoxyphenyl)-4,4-dimethyl-5H-oxazole
IUPAC Name: 2-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: CC1(COC(=N1)C2=CC=C(C=C2)OC)C
Structure:
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