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

Systemtic Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-[4-(2-methoxyphenyl)piperazino]butyl]benzo[de]isoquinoline-1,3-quinone Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C27H29N3O3/c1-33-24-13-3-2-12-23(24)29-18-16-28(17-19-29)14-4-5-15-30-26(31)21-10-6-8-20-9-7-11-22(25(20)21)27(30)32/h2-3,6-13H,4-5,14-19H2,1H3