2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyl]benzo[de]isoquinoline-1,3-quinone Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C25H22N2O3/c28-22(26-15-13-17-6-1-2-7-19(17)16-26)12-5-14-27-24(29)20-10-3-8-18-9-4-11-21(23(18)20)25(27)30/h1-4,6-11H,5,12-16H2