(E)-N-isoquinolin-5-yl-3-(3-methoxy-2,6,6-trimethyl-cyclohexen-1-yl)prop-2-enamide

Systemtic Name: (E)-N-isoquinolin-5-yl-3-(3-methoxy-2,6,6-trimethyl-cyclohexen-1-yl)prop-2-enamide Openeye Name: (E)-N-(5-isoquinolyl)-3-(3-methoxy-2,6,6-trimethyl-cyclohexen-1-yl)prop-2-enamide CAS Name: (E)-N-(5-isoquinolinyl)-3-(3-methoxy-2,6,6-trimethyl-1-cyclohexenyl)-2-propenamide IUPAC Name: (E)-N-isoquinolin-5-yl-3-(3-methoxy-2,6,6-trimethylcyclohexen-1-yl)prop-2-enamide Traditional Name: (E)-N-(5-isoquinolyl)-3-(3-methoxy-2,6,6-trimethyl-cyclohexen-1-yl)acrylamide Formula: C22H26N2O2 MolecularWeight: 350.45404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1OC)(C)C)C=CC(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC1=C(C(CCC1OC)(C)C)/C=C/C(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H26N2O2/c1-15-18(22(2,3)12-10-20(15)26-4)8-9-21(25)24-19-7-5-6-16-14-23-13-11-17(16)19/h5-9,11,13-14,20H,10,12H2,1-4H3,(H,24,25)/b9-8+