N-cyclooctyl-3-methyl-1-oxidanylidene-2-(4-phenylbutan-2-yl)-4H-isoquinoline-3-carboxamide

Systemtic Name: N-cyclooctyl-3-methyl-1-oxidanylidene-2-(4-phenylbutan-2-yl)-4H-isoquinoline-3-carboxamide Openeye Name: N-cyclooctyl-3-methyl-2-(1-methyl-3-phenyl-propyl)-1-oxo-4H-isoquinoline-3-carboxamide CAS Name: N-cyclooctyl-3-methyl-1-oxo-2-(4-phenylbutan-2-yl)-4H-isoquinoline-3-carboxamide IUPAC Name: N-cyclooctyl-3-methyl-1-oxo-2-(4-phenylbutan-2-yl)-4H-isoquinoline-3-carboxamide Traditional Name: N-cyclooctyl-1-keto-3-methyl-2-(1-methyl-3-phenyl-propyl)-4H-isoquinoline-3-carboxamide Formula: C29H38N2O2 MolecularWeight: 446.62422

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3CC2(C)C(=O)NC4CCCCCCC4

Isomeric SMILES

CC(CCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3CC2(C)C(=O)NC4CCCCCCC4

InChI

InChI=1S/C29H38N2O2/c1-22(19-20-23-13-7-6-8-14-23)31-27(32)26-18-12-11-15-24(26)21-29(31,2)28(33)30-25-16-9-4-3-5-10-17-25/h6-8,11-15,18,22,25H,3-5,9-10,16-17,19-21H2,1-2H3,(H,30,33)