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

Systemtic Name: 2-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]-4-oxo-butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-[4-(4-ethylbenzoyl)piperazino]-4-keto-butyl]benzo[de]isoquinoline-1,3-quinone Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C29H29N3O4/c1-2-20-11-13-22(14-12-20)27(34)31-18-16-30(17-19-31)25(33)10-5-15-32-28(35)23-8-3-6-21-7-4-9-24(26(21)23)29(32)36/h3-4,6-9,11-14H,2,5,10,15-19H2,1H3