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

Systemtic Name: 2-[4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxo-butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-keto-4-(4-p-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=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

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

InChI

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