3-[methyl(prop-2-ynyl)amino]-N-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]pentanamide

Systemtic Name: 3-[methyl(prop-2-ynyl)amino]-N-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]pentanamide Openeye Name: 3-[methyl(prop-2-ynyl)amino]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pentanamide CAS Name: 3-[methyl(prop-2-ynyl)amino]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pentanamide IUPAC Name: 3-[methyl(prop-2-ynyl)amino]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pentanamide Traditional Name: N-[(4-keto-3H-phthalazin-1-yl)methyl]-3-[methyl(propargyl)amino]valeramide Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)NCC1=NNC(=O)C2=CC=CC=C21)N(C)CC#C

Isomeric SMILES

CCC(CC(=O)NCC1=NNC(=O)C2=CC=CC=C21)N(C)CC#C

InChI

InChI=1S/C18H22N4O2/c1-4-10-22(3)13(5-2)11-17(23)19-12-16-14-8-6-7-9-15(14)18(24)21-20-16/h1,6-9,13H,5,10-12H2,2-3H3,(H,19,23)(H,21,24)