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

Systemtic Name: 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-[4-(4-methoxyphenyl)-1-piperazinyl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-keto-4-[4-(4-methoxyphenyl)piperazino]butyl]benzo[de]isoquinoline-1,3-quinone Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C27H27N3O4/c1-34-21-12-10-20(11-13-21)28-15-17-29(18-16-28)24(31)9-4-14-30-26(32)22-7-2-5-19-6-3-8-23(25(19)22)27(30)33/h2-3,5-8,10-13H,4,9,14-18H2,1H3