CAS RN: 19840-44-9
CAS Name: 5-bromo-6-oxo-1H-pyridine-3-carbonitrile
OPENEYE Name: 5-bromo-6-oxo-1H-pyridine-3-carbonitrile
IUPAC Name: 5-bromo-6-oxo-1H-pyridine-3-carbonitrile
SYSTEMATIC NAME: 5-bromanyl-6-oxidanylidene-1H-pyridine-3-carbonitrile
MOLECULAR FORMULA: C6H3BrN2O
MOLECULAR WEIGHT: 199.00482
SMILES: C1=C(C(=O)NC=C1C#N)Br
Structure:
CAS RN: 183995-63-3
CAS Name: 2-[2-[(2-ethoxy-2-oxoethyl)-(phenylmethyl)amino]ethyl-(phenylmethyl)amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[benzyl-[2-[benzyl-(2-ethoxy-2-oxo-ethyl)amino]ethyl]amino]acetate
IUPAC Name: ethyl 2-[benzyl-[2-[benzyl-(2-ethoxy-2-oxoethyl)amino]ethyl]amino]acetate
SYSTEMATIC NAME: ethyl 2-[2-[(2-ethoxy-2-oxidanylidene-ethyl)-(phenylmethyl)amino]ethyl-(phenylmethyl)amino]ethanoate
MOLECULAR FORMULA: C24H32N2O4
MOLECULAR WEIGHT: 412.52188
SMILES: CCOC(=O)CN(CCN(CC1=CC=CC=C1)CC(=O)OCC)CC2=CC=CC=C2
Structure:
CAS RN: 210488-53-2
CAS Name: 4-[(1S)-1-aminoethyl]benzonitrile
OPENEYE Name: 4-[(1S)-1-aminoethyl]benzonitrile
IUPAC Name: 4-[(1S)-1-aminoethyl]benzonitrile
SYSTEMATIC NAME: 4-[(1S)-1-azanylethyl]benzenecarbonitrile
MOLECULAR FORMULA: C9H10N2
MOLECULAR WEIGHT: 146.1891
SMILES: C[C@@H](C1=CC=C(C=C1)C#N)N
Structure:
CAS RN: 36244-70-9
CAS Name: 4-[(1R)-1-aminoethyl]benzonitrile
OPENEYE Name: 4-[(1R)-1-aminoethyl]benzonitrile
IUPAC Name: 4-[(1R)-1-aminoethyl]benzonitrile
SYSTEMATIC NAME: 4-[(1R)-1-azanylethyl]benzenecarbonitrile
MOLECULAR FORMULA: C9H10N2
MOLECULAR WEIGHT: 146.1891
SMILES: C[C@H](C1=CC=C(C=C1)C#N)N
Structure:
CAS RN: 18877-33-3
CAS Name: (2S)-1-[(2-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-(2-nitrobenzoyl)pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-(2-nitrobenzoyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-(2-nitrophenyl)carbonylpyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C12H12N2O5
MOLECULAR WEIGHT: 264.23408
SMILES: C1C[C@H](N(C1)C(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 182955-18-6
CAS Name: 5-[(4-nitrophenyl)-oxomethyl]-2,6-dioxo-1,3-diphenyl-4-pyrimidinolate
OPENEYE Name: 5-(4-nitrobenzoyl)-2,6-dioxo-1,3-diphenyl-pyrimidin-4-olate
IUPAC Name: 5-(4-nitrobenzoyl)-2,6-dioxo-1,3-diphenylpyrimidin-4-olate
SYSTEMATIC NAME: 5-(4-nitrophenyl)carbonyl-2,6-bis(oxidanylidene)-1,3-diphenyl-pyrimidin-4-olate
MOLECULAR FORMULA: C23H14N3O6-
MOLECULAR WEIGHT: 428.37376
SMILES: C1=CC=C(C=C1)N2C(=C(C(=O)N(C2=O)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])[O-]
Structure:
CAS RN: 5373-72-8
CAS Name: 4-phenyl-1,2,4-triazole-3-thiolate
OPENEYE Name: 4-phenyl-1,2,4-triazole-3-thiolate
IUPAC Name: 4-phenyl-1,2,4-triazole-3-thiolate
SYSTEMATIC NAME: 4-phenyl-1,2,4-triazole-3-thiolate
MOLECULAR FORMULA: C8H6N3S-
MOLECULAR WEIGHT: 176.21834
SMILES: C1=CC=C(C=C1)N2C=NN=C2[S-]
Structure:
CAS RN: 189998-34-3
CAS Name: 8-methyl-6-nitro-2,4,5-trioxo-1,3-diphenyl-7-pyrido[2,3-d]pyrimidinolate
OPENEYE Name: 8-methyl-6-nitro-2,4,5-trioxo-1,3-diphenyl-pyrido[2,3-d]pyrimidin-7-olate
IUPAC Name: 8-methyl-6-nitro-2,4,5-trioxo-1,3-diphenylpyrido[2,3-d]pyrimidin-7-olate
SYSTEMATIC NAME: 8-methyl-6-nitro-2,4,5-tris(oxidanylidene)-1,3-diphenyl-pyrido[2,3-d]pyrimidin-7-olate
MOLECULAR FORMULA: C20H13N4O6-
MOLECULAR WEIGHT: 405.34042
SMILES: CN1C2=C(C(=O)C(=C1[O-])[N+](=O)[O-])C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 68617-64-1
CAS Name: 1,2,6-trimethyl-7-[(2-pyridinyldisulfanyl)methyl]pyrazolo[1,2-a]pyrazole-3,5-dione
OPENEYE Name: 1,2,6-trimethyl-7-[(2-pyridyldisulfanyl)methyl]pyrazolo[1,2-a]pyrazole-3,5-dione
IUPAC Name: 1,2,6-trimethyl-7-[(pyridin-2-yldisulfanyl)methyl]pyrazolo[1,2-a]pyrazole-3,5-dione
SYSTEMATIC NAME: 1,2,6-trimethyl-7-[(pyridin-2-yldisulfanyl)methyl]pyrazolo[1,2-a]pyrazole-3,5-dione
MOLECULAR FORMULA: C15H15N3O2S2
MOLECULAR WEIGHT: 333.4285
SMILES: CC1=C(N2C(=C(C(=O)N2C1=O)C)CSSC3=CC=CC=N3)C
Structure:
CAS RN: 832090-44-5
CAS Name: 4,6-dimethyl-5-pyrimidinecarboxylic acid methyl ester
OPENEYE Name: methyl 4,6-dimethylpyrimidine-5-carboxylate
IUPAC Name: methyl 4,6-dimethylpyrimidine-5-carboxylate
SYSTEMATIC NAME: methyl 4,6-dimethylpyrimidine-5-carboxylate
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: CC1=C(C(=NC=N1)C)C(=O)OC
Structure:
CAS RN: 228867-86-5
CAS Name: 5-hydroxy-3-methyl-2-pyridinecarbonitrile
OPENEYE Name: 5-hydroxy-3-methyl-pyridine-2-carbonitrile
IUPAC Name: 5-hydroxy-3-methylpyridine-2-carbonitrile
SYSTEMATIC NAME: 3-methyl-5-oxidanyl-pyridine-2-carbonitrile
MOLECULAR FORMULA: C7H6N2O
MOLECULAR WEIGHT: 134.13534
SMILES: CC1=CC(=CN=C1C#N)O
Structure:
CAS RN: 24190-77-0
CAS Name: 4-acetamido-5-chloro-2-methoxybenzoate
OPENEYE Name: 4-acetamido-5-chloro-2-methoxy-benzoate
IUPAC Name: 4-acetamido-5-chloro-2-methoxybenzoate
SYSTEMATIC NAME: 4-acetamido-5-chloranyl-2-methoxy-benzoate
MOLECULAR FORMULA: C10H9ClNO4-
MOLECULAR WEIGHT: 242.63576
SMILES: CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)[O-])Cl
Structure:
CAS RN: 704879-73-2
CAS Name: 3,4-dihydro-2H-1,4-benzoxazin-8-ol
OPENEYE Name: 3,4-dihydro-2H-1,4-benzoxazin-8-ol
IUPAC Name: 3,4-dihydro-2H-1,4-benzoxazin-8-ol
SYSTEMATIC NAME: 3,4-dihydro-2H-1,4-benzoxazin-8-ol
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: C1COC2=C(N1)C=CC=C2O
Structure:
CAS RN: 887589-58-4
CAS Name: N-[4-(4-piperidinyl)phenyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[4-(4-piperidyl)phenyl]carbamate
IUPAC Name: tert-butyl N-(4-piperidin-4-ylphenyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(4-piperidin-4-ylphenyl)carbamate
MOLECULAR FORMULA: C16H24N2O2
MOLECULAR WEIGHT: 276.37396
SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2CCNCC2
Structure:
CAS RN: 874831-60-4
CAS Name: N-[3-(1-piperazinyl)propyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(3-piperazin-1-ylpropyl)carbamate
IUPAC Name: tert-butyl N-(3-piperazin-1-ylpropyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(3-piperazin-1-ylpropyl)carbamate
MOLECULAR FORMULA: C12H25N3O2
MOLECULAR WEIGHT: 243.3458
SMILES: CC(C)(C)OC(=O)NCCCN1CCNCC1
Structure:
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