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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-N-cyclooctyl-3-methyl-1-oxidanylidene-4H-isoquinoline-3-carboxamide Openeye Name: 2-[(4-chlorophenyl)methyl]-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide CAS Name: 2-[(4-chlorophenyl)methyl]-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide IUPAC Name: 2-[(4-chlorophenyl)methyl]-N-cyclooctyl-3-methyl-1-oxo-4H-isoquinoline-3-carboxamide Traditional Name: 2-(4-chlorobenzyl)-N-cyclooctyl-1-keto-3-methyl-4H-isoquinoline-3-carboxamide Formula: C26H31ClN2O2 MolecularWeight: 438.98954

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)Cl)C(=O)NC4CCCCCCC4

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)Cl)C(=O)NC4CCCCCCC4

InChI

InChI=1S/C26H31ClN2O2/c1-26(25(31)28-22-10-5-3-2-4-6-11-22)17-20-9-7-8-12-23(20)24(30)29(26)18-19-13-15-21(27)16-14-19/h7-9,12-16,22H,2-6,10-11,17-18H2,1H3,(H,28,31)