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

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCCNC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCCNC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H22N4O2/c26-20-18-9-4-3-8-17(18)19(23-24-20)21(27)22-11-5-12-25-13-10-15-6-1-2-7-16(15)14-25/h1-4,6-9H,5,10-14H2,(H,22,27)(H,24,26)