2-[5-[4-[2-oxidanylidene-2-(6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]pentyl]isoindole-1,3-dione

Systemtic Name: 2-[5-[4-[2-oxidanylidene-2-(6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]pentyl]isoindole-1,3-dione Openeye Name: 2-[5-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]pentyl]isoindoline-1,3-dione CAS Name: 2-[5-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]-1-piperazinyl]pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]pentyl]isoindole-1,3-dione Traditional Name: 2-[5-[4-[2-keto-2-(6-keto-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazino]pentyl]isoindoline-1,3-quinone Formula: C31H32N6O4 MolecularWeight: 552.62358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCN2C(=O)C3=CC=CC=C3C2=O)CC(=O)N4C5=CC=CC=C5C(=O)NC6=C4N=CC=C6

Isomeric SMILES

C1CN(CCN1CCCCCN2C(=O)C3=CC=CC=C3C2=O)CC(=O)N4C5=CC=CC=C5C(=O)NC6=C4N=CC=C6

InChI

InChI=1S/C31H32N6O4/c38-27(37-26-13-5-4-11-24(26)29(39)33-25-12-8-14-32-28(25)37)21-35-19-17-34(18-20-35)15-6-1-7-16-36-30(40)22-9-2-3-10-23(22)31(36)41/h2-5,8-14H,1,6-7,15-21H2,(H,33,39)