3-[(4-bromophenyl)amino]-5,5-dimethyl-2-(phenylcarbonyl)cyclohex-2-en-1-one

Systemtic Name: 3-[(4-bromophenyl)amino]-5,5-dimethyl-2-(phenylcarbonyl)cyclohex-2-en-1-one Openeye Name: 2-benzoyl-3-(4-bromoanilino)-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-benzoyl-3-(4-bromoanilino)-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-benzoyl-3-(4-bromoanilino)-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-benzoyl-3-(4-bromoanilino)-5,5-dimethyl-cyclohex-2-en-1-one Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H20BrNO2/c1-21(2)12-17(23-16-10-8-15(22)9-11-16)19(18(24)13-21)20(25)14-6-4-3-5-7-14/h3-11,23H,12-13H2,1-2H3