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

Systemtic Name: N-cycloheptyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxidanylidene-4H-isoquinoline-3-carboxamide Openeye Name: N-cycloheptyl-3-methyl-1-oxo-2-(p-tolylmethyl)-4H-isoquinoline-3-carboxamide CAS Name: N-cycloheptyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-isoquinoline-3-carboxamide IUPAC Name: N-cycloheptyl-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-isoquinoline-3-carboxamide Traditional Name: N-cycloheptyl-1-keto-3-methyl-2-(4-methylbenzyl)-4H-isoquinoline-3-carboxamide Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3CC2(C)C(=O)NC4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3CC2(C)C(=O)NC4CCCCCC4

InChI

InChI=1S/C26H32N2O2/c1-19-13-15-20(16-14-19)18-28-24(29)23-12-8-7-9-21(23)17-26(28,2)25(30)27-22-10-5-3-4-6-11-22/h7-9,12-16,22H,3-6,10-11,17-18H2,1-2H3,(H,27,30)