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

Systemtic Name: 3-(heptylamino)-5,5-dimethyl-2-(phenylcarbonyl)cyclohex-2-en-1-one Openeye Name: 2-benzoyl-3-(heptylamino)-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-benzoyl-3-(heptylamino)-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-benzoyl-3-(heptylamino)-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-benzoyl-3-(heptylamino)-5,5-dimethyl-cyclohex-2-en-1-one Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO2/c1-4-5-6-7-11-14-23-18-15-22(2,3)16-19(24)20(18)21(25)17-12-9-8-10-13-17/h8-10,12-13,23H,4-7,11,14-16H2,1-3H3