7-azanyl-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]heptanamide hydrochloride

Systemtic Name: 7-azanyl-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]heptanamide hydrochloride Openeye Name: 7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide hydrochloride CAS Name: 7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide hydrochloride IUPAC Name: 7-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]heptanamide hydrochloride Traditional Name: 7-amino-N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]enanthamide hydrochloride Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)NC(=O)CCCCCCN.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C3=CC(=CC=C3)NC(=O)CCCCCCN.Cl

InChI

InChI=1S/C21H24N4O2.ClH/c22-13-6-2-1-3-12-19(26)23-16-9-7-8-15(14-16)20-17-10-4-5-11-18(17)21(27)25-24-20;/h4-5,7-11,14H,1-3,6,12-13,22H2,(H,23,26)(H,25,27);1H