3-(4-chlorophenyl)-N-(3-methylcyclohexyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-(3-methylcyclohexyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(4-chlorophenyl)-N-(3-methylcyclohexyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(4-chlorophenyl)-N-(3-methylcyclohexyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(4-chlorophenyl)-N-(3-methylcyclohexyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-(4-chlorophenyl)-4-keto-N-(3-methylcyclohexyl)phthalazine-1-carboxamide Formula: C22H22ClN3O2 MolecularWeight: 395.88198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1CCCC(C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O2/c1-14-5-4-6-16(13-14)24-21(27)20-18-7-2-3-8-19(18)22(28)26(25-20)17-11-9-15(23)10-12-17/h2-3,7-12,14,16H,4-6,13H2,1H3,(H,24,27)