1-(4-bromophenyl)-3-[(3,4-dimethylphenyl)amino]but-3-en-1-one

Systemtic Name: 1-(4-bromophenyl)-3-[(3,4-dimethylphenyl)amino]but-3-en-1-one Openeye Name: 1-(4-bromophenyl)-3-(3,4-dimethylanilino)but-3-en-1-one CAS Name: 1-(4-bromophenyl)-3-(3,4-dimethylanilino)-3-buten-1-one IUPAC Name: 1-(4-bromophenyl)-3-(3,4-dimethylanilino)but-3-en-1-one Traditional Name: 1-(4-bromophenyl)-3-(3,4-dimethylanilino)but-3-en-1-one Formula: C18H18BrNO MolecularWeight: 344.24562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=C)CC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=C)CC(=O)C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C18H18BrNO/c1-12-4-9-17(10-13(12)2)20-14(3)11-18(21)15-5-7-16(19)8-6-15/h4-10,20H,3,11H2,1-2H3