N-[cyano-(2-methoxyphenyl)methyl]-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)cyclohexane-1-carboxamide

Systemtic Name: N-[cyano-(2-methoxyphenyl)methyl]-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)cyclohexane-1-carboxamide Openeye Name: N-[cyano-(2-methoxyphenyl)methyl]-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexanecarboxamide CAS Name: N-[cyano-(2-methoxyphenyl)methyl]-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[cyano-(2-methoxyphenyl)methyl]-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxamide Traditional Name: N-[cyano-(2-methoxyphenyl)methyl]-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexanecarboxamide Formula: C26H29N3O3 MolecularWeight: 431.52676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C#N)NC(=O)C2CCCCC2C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC=C1C(C#N)NC(=O)C2CCCCC2C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C26H29N3O3/c1-32-24-13-7-6-12-22(24)23(16-27)28-25(30)20-10-4-5-11-21(20)26(31)29-15-14-18-8-2-3-9-19(18)17-29/h2-3,6-9,12-13,20-21,23H,4-5,10-11,14-15,17H2,1H3,(H,28,30)