N-[(E)-1-(3-bromophenyl)-3-oxidanylidene-3-(phenethylamino)prop-1-en-2-yl]-4-methyl-benzamide

Systemtic Name: N-[(E)-1-(3-bromophenyl)-3-oxidanylidene-3-(phenethylamino)prop-1-en-2-yl]-4-methyl-benzamide Openeye Name: N-[(E)-2-(3-bromophenyl)-1-(phenethylcarbamoyl)vinyl]-4-methyl-benzamide CAS Name: N-[(E)-1-(3-bromophenyl)-3-oxo-3-(phenethylamino)prop-1-en-2-yl]-4-methylbenzamide IUPAC Name: N-[(E)-1-(3-bromophenyl)-3-oxo-3-(phenethylamino)prop-1-en-2-yl]-4-methylbenzamide Traditional Name: N-[(E)-2-(3-bromophenyl)-1-(phenethylcarbamoyl)vinyl]-4-methyl-benzamide Formula: C25H23BrN2O2 MolecularWeight: 463.36632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)Br)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=CC=C2)Br)/C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C25H23BrN2O2/c1-18-10-12-21(13-11-18)24(29)28-23(17-20-8-5-9-22(26)16-20)25(30)27-15-14-19-6-3-2-4-7-19/h2-13,16-17H,14-15H2,1H3,(H,27,30)(H,28,29)/b23-17+