5-(butylamino)-N-[2-chloranyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pentanamide hydrochloride

Systemtic Name: 5-(butylamino)-N-[2-chloranyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pentanamide hydrochloride Openeye Name: 5-(butylamino)-N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide hydrochloride CAS Name: 5-(butylamino)-N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide hydrochloride IUPAC Name: 5-(butylamino)-N-[2-chloro-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide hydrochloride Traditional Name: 5-(butylamino)-N-[2-chloro-5-(4-keto-3H-phthalazin-1-yl)phenyl]valeramide hydrochloride Formula: C23H28Cl2N4O2 MolecularWeight: 463.40002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O2.ClH/c1-2-3-13-25-14-7-6-10-21(29)26-20-15-16(11-12-19(20)24)22-17-8-4-5-9-18(17)23(30)28-27-22;/h4-5,8-9,11-12,15,25H,2-3,6-7,10,13-14H2,1H3,(H,26,29)(H,28,30);1H