N-[4-(2-methylbutan-2-yl)cyclohexyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[4-(1,1-dimethylpropyl)cyclohexyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-(4-tert-amylcyclohexyl)-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2/c1-4-26(2,3)18-14-16-19(17-15-18)27-24(30)23-21-12-8-9-13-22(21)25(31)29(28-23)20-10-6-5-7-11-20/h5-13,18-19H,4,14-17H2,1-3H3,(H,27,30)