N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]-5-[(phenylmethyl)amino]pentanamide hydrochloride

Systemtic Name: N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]-5-[(phenylmethyl)amino]pentanamide hydrochloride Openeye Name: 5-(benzylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide hydrochloride CAS Name: N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-5-[(phenylmethyl)amino]pentanamide hydrochloride IUPAC Name: 5-(benzylamino)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide hydrochloride Traditional Name: 5-(benzylamino)-N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]valeramide hydrochloride Formula: C26H27ClN4O2 MolecularWeight: 462.97118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCCC(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43.Cl

Isomeric SMILES

C1=CC=C(C=C1)CNCCCCC(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43.Cl

InChI

InChI=1S/C26H26N4O2.ClH/c31-24(15-6-7-16-27-18-19-9-2-1-3-10-19)28-21-12-8-11-20(17-21)25-22-13-4-5-14-23(22)26(32)30-29-25;/h1-5,8-14,17,27H,6-7,15-16,18H2,(H,28,31)(H,30,32);1H