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

Systemtic Name: 2-[3-[4-[2-oxidanylidene-2-(6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]-1-piperazinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-[2-keto-2-(6-keto-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazino]propyl]isoindoline-1,3-quinone Formula: C29H28N6O4 MolecularWeight: 524.57042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3C2=O)CC(=O)N4C5=CC=CC=C5C(=O)NC6=C4N=CC=C6

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3C2=O)CC(=O)N4C5=CC=CC=C5C(=O)NC6=C4N=CC=C6

InChI

InChI=1S/C29H28N6O4/c36-25(35-24-11-4-3-9-22(24)27(37)31-23-10-5-12-30-26(23)35)19-33-17-15-32(16-18-33)13-6-14-34-28(38)20-7-1-2-8-21(20)29(34)39/h1-5,7-12H,6,13-19H2,(H,31,37)