4-tert-butyl-N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]benzamide Openeye Name: 4-tert-butyl-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolyl]benzamide CAS Name: 4-tert-butyl-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolinyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxoisoquinolin-5-yl]benzamide Traditional Name: 4-tert-butyl-N-[2-[(1-hydroxycyclohexyl)methyl]-1-keto-5-isoquinolyl]benzamide Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4(CCCCC4)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4(CCCCC4)O

InChI

InChI=1S/C27H32N2O3/c1-26(2,3)20-12-10-19(11-13-20)24(30)28-23-9-7-8-22-21(23)14-17-29(25(22)31)18-27(32)15-5-4-6-16-27/h7-14,17,32H,4-6,15-16,18H2,1-3H3,(H,28,30)