3-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(4-chlorophenyl)-N-(1-methyl-4-piperidyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(4-chlorophenyl)-N-(1-methyl-4-piperidinyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-(4-chlorophenyl)-4-keto-N-(1-methyl-4-piperidyl)phthalazine-1-carboxamide Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1CCC(CC1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4O2/c1-25-12-10-15(11-13-25)23-20(27)19-17-4-2-3-5-18(17)21(28)26(24-19)16-8-6-14(22)7-9-16/h2-9,15H,10-13H2,1H3,(H,23,27)