N-[3-(azepan-1-ium-1-yl)propyl]-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=O)C2=CC3=C(C=C2)NC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=O)C2=CC3=C(C=C2)NC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H28N4O2/c28-22(24-12-7-15-27-13-5-1-2-6-14-27)17-10-11-20-21(16-17)26-23(29)18-8-3-4-9-19(18)25-20/h3-4,8-11,16,25H,1-2,5-7,12-15H2,(H,24,28)(H,26,29)/p+1