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

Systemtic Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzo[f]isoindole-1,3-dione Openeye Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzo[f]isoindole-1,3-dione CAS Name: 2-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]benzo[f]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzo[f]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2-methoxyphenyl)piperazino]butyl]benz[f]isoindole-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=CC5=CC=CC=C5C=C4C3=O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC5=CC=CC=C5C=C4C3=O

InChI

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