6-(methylamino)-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]hexanamide hydrochloride

Systemtic Name: 6-(methylamino)-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]hexanamide hydrochloride Openeye Name: 6-(methylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]hexanamide hydrochloride CAS Name: 6-(methylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]hexanamide hydrochloride IUPAC Name: 6-(methylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]hexanamide hydrochloride Traditional Name: N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]-6-(methylamino)hexanamide hydrochloride Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32.Cl

Isomeric SMILES

CNCCCCCC(=O)NC1=CC=CC(=C1)C2=NNC(=O)C3=CC=CC=C32.Cl

InChI

InChI=1S/C21H24N4O2.ClH/c1-22-13-6-2-3-12-19(26)23-16-9-7-8-15(14-16)20-17-10-4-5-11-18(17)21(27)25-24-20;/h4-5,7-11,14,22H,2-3,6,12-13H2,1H3,(H,23,26)(H,25,27);1H