3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C25H25N4O2+ MolecularWeight: 413.4916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C25H24N4O2/c30-24-20-8-4-5-9-21(20)26-22-11-10-19(16-23(22)27-24)25(31)29-14-12-28(13-15-29)17-18-6-2-1-3-7-18/h1-11,16,26H,12-15,17H2,(H,27,30)/p+1