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

Systemtic Name: 3-[(4-bromophenyl)amino]-5-(3,4-dimethoxyphenyl)cyclohex-2-en-1-one Openeye Name: 3-(4-bromoanilino)-5-(3,4-dimethoxyphenyl)cyclohex-2-en-1-one CAS Name: 3-(4-bromoanilino)-5-(3,4-dimethoxyphenyl)-1-cyclohex-2-enone IUPAC Name: 3-(4-bromoanilino)-5-(3,4-dimethoxyphenyl)cyclohex-2-en-1-one Traditional Name: 3-(4-bromoanilino)-5-(3,4-dimethoxyphenyl)cyclohex-2-en-1-one Formula: C20H20BrNO3 MolecularWeight: 402.2817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=CC(=O)C2)NC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=CC(=O)C2)NC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C20H20BrNO3/c1-24-19-8-3-13(11-20(19)25-2)14-9-17(12-18(23)10-14)22-16-6-4-15(21)5-7-16/h3-8,11-12,14,22H,9-10H2,1-2H3