7-nitro-5-phenyl-1'-(phenylmethyl)spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one

Systemtic Name: 7-nitro-5-phenyl-1'-(phenylmethyl)spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one Openeye Name: 1'-benzyl-7-nitro-5-phenyl-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one CAS Name: 7-nitro-5-phenyl-1'-(phenylmethyl)-2-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]one IUPAC Name: 1'-benzyl-7-nitro-5-phenylspiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one Traditional Name: 1'-benzyl-7-nitro-5-phenyl-spiro[1H-1,4-benzodiazepine-3,4'-piperidine]-2-one Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC12C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O3/c31-25-26(13-15-29(16-14-26)18-19-7-3-1-4-8-19)28-24(20-9-5-2-6-10-20)22-17-21(30(32)33)11-12-23(22)27-25/h1-12,17H,13-16,18H2,(H,27,31)