N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=NNC(=O)C2=CC=CC=C21)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(CNC(=O)C1=NNC(=O)C2=CC=CC=C21)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H24N4O2/c1-2-17(26-12-11-15-7-3-4-8-16(15)14-26)13-23-22(28)20-18-9-5-6-10-19(18)21(27)25-24-20/h3-10,17H,2,11-14H2,1H3,(H,23,28)(H,25,27)