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

Systemtic Name: N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]-4-phenyl-benzamide Openeye Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolyl]-4-phenyl-benzamide CAS Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolinyl]-4-phenylbenzamide IUPAC Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxoisoquinolin-5-yl]-4-phenylbenzamide Traditional Name: N-[2-[(1-hydroxycyclohexyl)methyl]-1-keto-5-isoquinolyl]-4-phenyl-benzamide Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN2C=CC3=C(C2=O)C=CC=C3NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)O

Isomeric SMILES

C1CCC(CC1)(CN2C=CC3=C(C2=O)C=CC=C3NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C29H28N2O3/c32-27(23-14-12-22(13-15-23)21-8-3-1-4-9-21)30-26-11-7-10-25-24(26)16-19-31(28(25)33)20-29(34)17-5-2-6-18-29/h1,3-4,7-16,19,34H,2,5-6,17-18,20H2,(H,30,32)