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

Systemtic Name: ethyl 2-ethyl-4-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-ethyl-4-[[3-nitro-4-(1-piperidyl)benzoyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-ethyl-4-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethyl-4-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-ethyl-4-[(3-nitro-4-piperidino-benzoyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C26H29N5O5/c1-3-18-23(26(33)36-4-2)24(28-20-11-7-6-10-19(20)27-18)29-25(32)17-12-13-21(22(16-17)31(34)35)30-14-8-5-9-15-30/h6-7,10-13,16,27H,3-5,8-9,14-15H2,1-2H3,(H,28,29,32)