2-[2-[4-(4-phenylbutyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(4-phenylbutyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(4-phenylbutyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-(4-phenylbutyl)-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(4-phenylbutyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(4-phenylbutyl)piperazino]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CC=CC=C2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CN(CCN1CCCCC2=CC=CC=C2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C28H31N3O2/c32-27-24-13-6-11-23-12-7-14-25(26(23)24)28(33)31(27)21-20-30-18-16-29(17-19-30)15-5-4-10-22-8-2-1-3-9-22/h1-3,6-9,11-14H,4-5,10,15-21H2