5,6-dihydrobenzo[b][1]benzazepin-11-yl-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3C4=CC=CC=C4CCC5=CC=CC=C53)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O3/c29-25(20-13-14-23(24(17-20)28(30)31)26-15-5-6-16-26)27-21-9-3-1-7-18(21)11-12-19-8-2-4-10-22(19)27/h1-4,7-10,13-14,17H,5-6,11-12,15-16H2