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

Systemtic Name: N-cyclooctyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxidanylidene-4H-isoquinoline-3-carboxamide Openeye Name: N-cyclooctyl-3-methyl-1-oxo-2-(p-tolylmethyl)-4H-isoquinoline-3-carboxamide CAS Name: N-cyclooctyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-isoquinoline-3-carboxamide IUPAC Name: N-cyclooctyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-isoquinoline-3-carboxamide Traditional Name: N-cyclooctyl-1-keto-3-methyl-2-(4-methylbenzyl)-4H-isoquinoline-3-carboxamide Formula: C27H34N2O2 MolecularWeight: 418.57106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3CC2(C)C(=O)NC4CCCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3CC2(C)C(=O)NC4CCCCCCC4

InChI

InChI=1S/C27H34N2O2/c1-20-14-16-21(17-15-20)19-29-25(30)24-13-9-8-10-22(24)18-27(29,2)26(31)28-23-11-6-4-3-5-7-12-23/h8-10,13-17,23H,3-7,11-12,18-19H2,1-2H3,(H,28,31)