2-[2-(4-chlorophenyl)ethyl]-N-cyclooctyl-3-methyl-1-oxidanylidene-4H-isoquinoline-3-carboxamide

Systemtic Name: 2-[2-(4-chlorophenyl)ethyl]-N-cyclooctyl-3-methyl-1-oxidanylidene-4H-isoquinoline-3-carboxamide Openeye Name: 2-[2-(4-chlorophenyl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide CAS Name: 2-[2-(4-chlorophenyl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide IUPAC Name: 2-[2-(4-chlorophenyl)ethyl]-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide Traditional Name: 2-[2-(4-chlorophenyl)ethyl]-N-cyclooctyl-1-keto-3-methyl-4H-isoquinoline-3-carboxamide Formula: C27H33ClN2O2 MolecularWeight: 453.01612

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)N1CCC3=CC=C(C=C3)Cl)C(=O)NC4CCCCCCC4

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)N1CCC3=CC=C(C=C3)Cl)C(=O)NC4CCCCCCC4

InChI

InChI=1S/C27H33ClN2O2/c1-27(26(32)29-23-10-5-3-2-4-6-11-23)19-21-9-7-8-12-24(21)25(31)30(27)18-17-20-13-15-22(28)16-14-20/h7-9,12-16,23H,2-6,10-11,17-19H2,1H3,(H,29,32)