4-cyano-N-[2-(dimethylamino)-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]butanamide hydrochloride

Systemtic Name: 4-cyano-N-[2-(dimethylamino)-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]butanamide hydrochloride Openeye Name: 4-cyano-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide hydrochloride CAS Name: 4-cyano-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide hydrochloride IUPAC Name: 4-cyano-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]butanamide hydrochloride Traditional Name: 4-cyano-N-[2-(dimethylamino)-5-(4-keto-3H-phthalazin-1-yl)phenyl]butyramide hydrochloride Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)NC(=O)CCCC#N.Cl

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)NC(=O)CCCC#N.Cl

InChI

InChI=1S/C21H21N5O2.ClH/c1-26(2)18-11-10-14(13-17(18)23-19(27)9-5-6-12-22)20-15-7-3-4-8-16(15)21(28)25-24-20;/h3-4,7-8,10-11,13H,5-6,9H2,1-2H3,(H,23,27)(H,25,28);1H