N-[2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-5-yl]-4-methyl-cyclohexane-1-carboxamide

Systemtic Name: N-[2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-5-yl]-4-methyl-cyclohexane-1-carboxamide Openeye Name: N-[2-(2,2-dimethylpropyl)-1-oxo-5-isoquinolyl]-4-methyl-cyclohexanecarboxamide CAS Name: N-[2-(2,2-dimethylpropyl)-1-oxo-5-isoquinolinyl]-4-methyl-1-cyclohexanecarboxamide IUPAC Name: N-[2-(2,2-dimethylpropyl)-1-oxoisoquinolin-5-yl]-4-methylcyclohexane-1-carboxamide Traditional Name: N-(1-keto-2-neopentyl-5-isoquinolyl)-4-methyl-cyclohexanecarboxamide Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)NC2=CC=CC3=C2C=CN(C3=O)CC(C)(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)NC2=CC=CC3=C2C=CN(C3=O)CC(C)(C)C

InChI

InChI=1S/C22H30N2O2/c1-15-8-10-16(11-9-15)20(25)23-19-7-5-6-18-17(19)12-13-24(21(18)26)14-22(2,3)4/h5-7,12-13,15-16H,8-11,14H2,1-4H3,(H,23,25)