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

Systemtic Name: 2-[4-[4-[2-oxidanylidene-2-(6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-[2-keto-2-(6-keto-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazino]butyl]isoindoline-1,3-quinone Formula: C30H30N6O4 MolecularWeight: 538.597

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C2=O)CC(=O)N4C5=CC=CC=C5C(=O)NC6=C4N=CC=C6

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C2=O)CC(=O)N4C5=CC=CC=C5C(=O)NC6=C4N=CC=C6

InChI

InChI=1S/C30H30N6O4/c37-26(36-25-12-4-3-10-23(25)28(38)32-24-11-7-13-31-27(24)36)20-34-18-16-33(17-19-34)14-5-6-15-35-29(39)21-8-1-2-9-22(21)30(35)40/h1-4,7-13H,5-6,14-20H2,(H,32,38)