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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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