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

Systemtic Name: 2-[4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-[4-(3-methoxybenzoyl)piperazin-1-yl]-4-oxo-butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-[4-(3-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-keto-4-(4-m-anisoylpiperazino)butyl]benzo[de]isoquinoline-1,3-quinone Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O5/c1-36-21-9-2-8-20(18-21)26(33)30-16-14-29(15-17-30)24(32)12-5-13-31-27(34)22-10-3-6-19-7-4-11-23(25(19)22)28(31)35/h2-4,6-11,18H,5,12-17H2,1H3