6-heptyl-N-(6-methoxyisoquinolin-5-yl)-3,4-dimethyl-cyclohex-3-ene-1-carboxamide

Systemtic Name: 6-heptyl-N-(6-methoxyisoquinolin-5-yl)-3,4-dimethyl-cyclohex-3-ene-1-carboxamide Openeye Name: 6-heptyl-N-(6-methoxy-5-isoquinolyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxamide CAS Name: 6-heptyl-N-(6-methoxy-5-isoquinolinyl)-3,4-dimethyl-1-cyclohex-3-enecarboxamide IUPAC Name: 6-heptyl-N-(6-methoxyisoquinolin-5-yl)-3,4-dimethylcyclohex-3-ene-1-carboxamide Traditional Name: 6-heptyl-N-(6-methoxy-5-isoquinolyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxamide Formula: C26H36N2O2 MolecularWeight: 408.57624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CC(=C(CC1C(=O)NC2=C(C=CC3=C2C=CN=C3)OC)C)C

Isomeric SMILES

CCCCCCCC1CC(=C(CC1C(=O)NC2=C(C=CC3=C2C=CN=C3)OC)C)C

InChI

InChI=1S/C26H36N2O2/c1-5-6-7-8-9-10-20-15-18(2)19(3)16-23(20)26(29)28-25-22-13-14-27-17-21(22)11-12-24(25)30-4/h11-14,17,20,23H,5-10,15-16H2,1-4H3,(H,28,29)