(E)-3-[3-(4-chloranylphenoxy)-2,6,6-trimethyl-cyclohexen-1-yl]-N-isoquinolin-5-yl-prop-2-enamide

Systemtic Name: (E)-3-[3-(4-chloranylphenoxy)-2,6,6-trimethyl-cyclohexen-1-yl]-N-isoquinolin-5-yl-prop-2-enamide Openeye Name: (E)-3-[3-(4-chlorophenoxy)-2,6,6-trimethyl-cyclohexen-1-yl]-N-(5-isoquinolyl)prop-2-enamide CAS Name: (E)-3-[3-(4-chlorophenoxy)-2,6,6-trimethyl-1-cyclohexenyl]-N-(5-isoquinolinyl)-2-propenamide IUPAC Name: (E)-3-[3-(4-chlorophenoxy)-2,6,6-trimethylcyclohexen-1-yl]-N-isoquinolin-5-ylprop-2-enamide Traditional Name: (E)-3-[3-(4-chlorophenoxy)-2,6,6-trimethyl-cyclohexen-1-yl]-N-(5-isoquinolyl)acrylamide Formula: C27H27ClN2O2 MolecularWeight: 446.96848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN2O2/c1-18-23(27(2,3)15-13-25(18)32-21-9-7-20(28)8-10-21)11-12-26(31)30-24-6-4-5-19-17-29-16-14-22(19)24/h4-12,14,16-17,25H,13,15H2,1-3H3,(H,30,31)/b12-11+