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

Systemtic Name: N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Openeye Name: N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide CAS Name: N-[3-(4-methyl-1-piperazin-4-iumyl)propyl]-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide IUPAC Name: N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Traditional Name: 6-keto-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)NC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C[NH+]1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)NC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H27N5O2/c1-26-11-13-27(14-12-26)10-4-9-23-21(28)16-7-8-19-20(15-16)25-22(29)17-5-2-3-6-18(17)24-19/h2-3,5-8,15,24H,4,9-14H2,1H3,(H,23,28)(H,25,29)/p+1