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

Systemtic Name: (E)-N-isoquinolin-5-yl-3-(2,6,6-trimethyl-3-phenoxy-cyclohexen-1-yl)prop-2-enamide Openeye Name: (E)-N-(5-isoquinolyl)-3-(2,6,6-trimethyl-3-phenoxy-cyclohexen-1-yl)prop-2-enamide CAS Name: (E)-N-(5-isoquinolinyl)-3-(2,6,6-trimethyl-3-phenoxy-1-cyclohexenyl)-2-propenamide IUPAC Name: (E)-N-isoquinolin-5-yl-3-(2,6,6-trimethyl-3-phenoxycyclohexen-1-yl)prop-2-enamide Traditional Name: (E)-N-(5-isoquinolyl)-3-(2,6,6-trimethyl-3-phenoxy-cyclohexen-1-yl)acrylamide Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1OC2=CC=CC=C2)(C)C)C=CC(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=C(C(CCC1OC2=CC=CC=C2)(C)C)/C=C/C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C27H28N2O2/c1-19-23(27(2,3)16-14-25(19)31-21-9-5-4-6-10-21)12-13-26(30)29-24-11-7-8-20-18-28-17-15-22(20)24/h4-13,15,17-18,25H,14,16H2,1-3H3,(H,29,30)/b13-12+