2-[4-(4-phenylpiperazin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione dihydrochloride

Systemtic Name: 2-[4-(4-phenylpiperazin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione dihydrochloride Openeye Name: 2-[4-(4-phenylpiperazin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione dihydrochloride CAS Name: 2-[4-(4-phenyl-1-piperazinyl)butyl]benzo[de]isoquinoline-1,3-dione dihydrochloride IUPAC Name: 2-[4-(4-phenylpiperazin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione dihydrochloride Traditional Name: 2-[4-(4-phenylpiperazino)butyl]benzo[de]isoquinoline-1,3-quinone dihydrochloride Formula: C26H29Cl2N3O2 MolecularWeight: 486.43336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C26H27N3O2.2ClH/c30-25-22-12-6-8-20-9-7-13-23(24(20)22)26(31)29(25)15-5-4-14-27-16-18-28(19-17-27)21-10-2-1-3-11-21;;/h1-3,6-13H,4-5,14-19H2;2*1H