(E)-5-azanyl-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pent-3-enamide hydrochloride

Systemtic Name: (E)-5-azanyl-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]pent-3-enamide hydrochloride Openeye Name: (E)-5-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pent-3-enamide hydrochloride CAS Name: (E)-5-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-3-pentenamide hydrochloride IUPAC Name: (E)-5-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]pent-3-enamide hydrochloride Traditional Name: (E)-5-amino-N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]pent-3-enamide hydrochloride Formula: C19H19ClN4O2 MolecularWeight: 370.83276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O2.ClH/c20-11-4-3-10-17(24)21-14-7-5-6-13(12-14)18-15-8-1-2-9-16(15)19(25)23-22-18;/h1-9,12H,10-11,20H2,(H,21,24)(H,23,25);1H/b4-3+;