1-(4-bromophenyl)-3-[(phenylmethyl)amino]pent-2-en-1-one

Systemtic Name: 1-(4-bromophenyl)-3-[(phenylmethyl)amino]pent-2-en-1-one Openeye Name: 3-(benzylamino)-1-(4-bromophenyl)pent-2-en-1-one CAS Name: 1-(4-bromophenyl)-3-[(phenylmethyl)amino]-2-penten-1-one IUPAC Name: 3-(benzylamino)-1-(4-bromophenyl)pent-2-en-1-one Traditional Name: 3-(benzylamino)-1-(4-bromophenyl)pent-2-en-1-one Formula: C18H18BrNO MolecularWeight: 344.24562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(=O)C1=CC=C(C=C1)Br)NCC2=CC=CC=C2

Isomeric SMILES

CCC(=CC(=O)C1=CC=C(C=C1)Br)NCC2=CC=CC=C2

InChI

InChI=1S/C18H18BrNO/c1-2-17(20-13-14-6-4-3-5-7-14)12-18(21)15-8-10-16(19)11-9-15/h3-12,20H,2,13H2,1H3