3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-2H-phthalazine-1,4-dione CAS Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-2H-phthalazine-1,4-quinone Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C20H19N3O3/c24-18(22-11-9-14-5-1-2-6-15(14)13-22)10-12-23-20(26)17-8-4-3-7-16(17)19(25)21-23/h1-8H,9-13H2,(H,21,25)