4-azanyl-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]cyclohexane-1-carboxamide hydrochloride

Systemtic Name: 4-azanyl-N-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]cyclohexane-1-carboxamide hydrochloride Openeye Name: 4-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]cyclohexanecarboxamide hydrochloride CAS Name: 4-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]-1-cyclohexanecarboxamide hydrochloride IUPAC Name: 4-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]cyclohexane-1-carboxamide hydrochloride Traditional Name: 4-amino-N-[3-(4-keto-3H-phthalazin-1-yl)phenyl]cyclohexanecarboxamide hydrochloride Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43)N.Cl

Isomeric SMILES

C1CC(CCC1C(=O)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43)N.Cl

InChI

InChI=1S/C21H22N4O2.ClH/c22-15-10-8-13(9-11-15)20(26)23-16-5-3-4-14(12-16)19-17-6-1-2-7-18(17)21(27)25-24-19;/h1-7,12-13,15H,8-11,22H2,(H,23,26)(H,25,27);1H