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

Systemtic Name: 5-(azepan-1-yl)-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pentanamide hydrochloride Openeye Name: 5-(azepan-1-yl)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide hydrochloride CAS Name: 5-(1-azepanyl)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide hydrochloride IUPAC Name: 5-(azepan-1-yl)-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide hydrochloride Traditional Name: 5-(azepan-1-yl)-N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]valeramide hydrochloride Formula: C25H31ClN4O2 MolecularWeight: 454.99224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCCC(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43.Cl

Isomeric SMILES

C1CCCN(CC1)CCCCC(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43.Cl

InChI

InChI=1S/C25H30N4O2.ClH/c30-23(14-5-8-17-29-15-6-1-2-7-16-29)26-20-11-9-10-19(18-20)24-21-12-3-4-13-22(21)25(31)28-27-24;/h3-4,9-13,18H,1-2,5-8,14-17H2,(H,26,30)(H,28,31);1H