[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C22H23BrN2O3 MolecularWeight: 443.33362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)/C=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H23BrN2O3/c1-17(28-21(26)11-10-18-6-5-7-19(23)16-18)22(27)25-14-12-24(13-15-25)20-8-3-2-4-9-20/h2-11,16-17H,12-15H2,1H3/b11-10+