3-(2-chlorophenyl)-N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]propanamide

Systemtic Name: 3-(2-chlorophenyl)-N-[2-[(1-oxidanylcyclohexyl)methyl]-1-oxidanylidene-isoquinolin-5-yl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxo-5-isoquinolinyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[2-[(1-hydroxycyclohexyl)methyl]-1-oxoisoquinolin-5-yl]propanamide Traditional Name: 3-(2-chlorophenyl)-N-[2-[(1-hydroxycyclohexyl)methyl]-1-keto-5-isoquinolyl]propionamide Formula: C25H27ClN2O3 MolecularWeight: 438.94648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CCC4=CC=CC=C4Cl)O

Isomeric SMILES

C1CCC(CC1)(CN2C=CC3=C(C2=O)C=CC=C3NC(=O)CCC4=CC=CC=C4Cl)O

InChI

InChI=1S/C25H27ClN2O3/c26-21-9-3-2-7-18(21)11-12-23(29)27-22-10-6-8-20-19(22)13-16-28(24(20)30)17-25(31)14-4-1-5-15-25/h2-3,6-10,13,16,31H,1,4-5,11-12,14-15,17H2,(H,27,29)