N-[(E)-3-[(4-bromanyl-3-methyl-phenyl)amino]-1-(4-dimethylaminophenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-butoxy-benzamide

Systemtic Name: N-[(E)-3-[(4-bromanyl-3-methyl-phenyl)amino]-1-(4-dimethylaminophenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-butoxy-benzamide Openeye Name: N-[(E)-1-[(4-bromo-3-methyl-phenyl)carbamoyl]-2-(4-dimethylaminophenyl)vinyl]-4-butoxy-benzamide CAS Name: N-[(E)-3-(4-bromo-3-methylanilino)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide IUPAC Name: N-[(E)-3-(4-bromo-3-methylanilino)-1-(4-dimethylaminophenyl)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide Traditional Name: N-[(E)-1-[(4-bromo-3-methyl-phenyl)carbamoyl]-2-(4-dimethylaminophenyl)vinyl]-4-butoxy-benzamide Formula: C29H32BrN3O3 MolecularWeight: 550.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)N(C)C)C(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)N(C)C)/C(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C29H32BrN3O3/c1-5-6-17-36-25-14-9-22(10-15-25)28(34)32-27(19-21-7-12-24(13-8-21)33(3)4)29(35)31-23-11-16-26(30)20(2)18-23/h7-16,18-19H,5-6,17H2,1-4H3,(H,31,35)(H,32,34)/b27-19+