3-(heptylamino)-5,5-dimethyl-2-(2-phenylethanoyl)cyclohex-2-en-1-one

Systemtic Name: 3-(heptylamino)-5,5-dimethyl-2-(2-phenylethanoyl)cyclohex-2-en-1-one Openeye Name: 3-(heptylamino)-5,5-dimethyl-2-(2-phenylacetyl)cyclohex-2-en-1-one CAS Name: 3-(heptylamino)-5,5-dimethyl-2-(1-oxo-2-phenylethyl)-1-cyclohex-2-enone IUPAC Name: 3-(heptylamino)-5,5-dimethyl-2-(2-phenylacetyl)cyclohex-2-en-1-one Traditional Name: 3-(heptylamino)-5,5-dimethyl-2-(2-phenylacetyl)cyclohex-2-en-1-one Formula: C23H33NO2 MolecularWeight: 355.51362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=C(C(=O)CC(C1)(C)C)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCNC1=C(C(=O)CC(C1)(C)C)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C23H33NO2/c1-4-5-6-7-11-14-24-19-16-23(2,3)17-21(26)22(19)20(25)15-18-12-9-8-10-13-18/h8-10,12-13,24H,4-7,11,14-17H2,1-3H3