2-[4-oxidanylidene-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[4-oxidanylidene-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-oxo-4-[4-(4-pyridylmethyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-oxo-4-[4-(pyridin-4-ylmethyl)-1-piperazinyl]butyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-keto-4-[4-(4-pyridylmethyl)piperazino]butyl]benzo[de]isoquinoline-1,3-quinone Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C26H26N4O3/c31-23(29-16-14-28(15-17-29)18-19-9-11-27-12-10-19)8-3-13-30-25(32)21-6-1-4-20-5-2-7-22(24(20)21)26(30)33/h1-2,4-7,9-12H,3,8,13-18H2