ethyl 2-methyl-4-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-methyl-4-[[3-nitro-4-(1-piperidyl)benzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-methyl-4-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-methyl-4-[(3-nitro-4-piperidino-benzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C25H27N5O5 MolecularWeight: 477.51238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C25H27N5O5/c1-3-35-25(32)22-16(2)26-18-9-5-6-10-19(18)27-23(22)28-24(31)17-11-12-20(21(15-17)30(33)34)29-13-7-4-8-14-29/h5-6,9-12,15,26H,3-4,7-8,13-14H2,1-2H3,(H,27,28,31)