3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-[(E)-3-phenylprop-2-enoyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-[(E)-3-phenylprop-2-enoyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-[(E)-3-phenylprop-2-enoyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-6-[(E)-1-oxo-3-phenylprop-2-enyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-[(E)-3-phenylprop-2-enoyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(2-methoxyphenyl)piperazino]methyl]-6-[(E)-3-phenylacryloyl]-1,3-benzoxazol-2-one Formula: C28H27N3O4 MolecularWeight: 469.53168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CN3C4=C(C=C(C=C4)C(=O)C=CC5=CC=CC=C5)OC3=O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CN3C4=C(C=C(C=C4)C(=O)/C=C/C5=CC=CC=C5)OC3=O

InChI

InChI=1S/C28H27N3O4/c1-34-26-10-6-5-9-23(26)30-17-15-29(16-18-30)20-31-24-13-12-22(19-27(24)35-28(31)33)25(32)14-11-21-7-3-2-4-8-21/h2-14,19H,15-18,20H2,1H3/b14-11+