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

Systemtic Name: 3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-6-[(E)-3-phenylprop-2-enoyl]-1,3-benzoxazol-2-one Openeye Name: 3-[(4-benzylpiperazin-1-yl)methyl]-6-[(E)-3-phenylprop-2-enoyl]-1,3-benzoxazol-2-one CAS Name: 6-[(E)-1-oxo-3-phenylprop-2-enyl]-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[(4-benzylpiperazin-1-yl)methyl]-6-[(E)-3-phenylprop-2-enoyl]-1,3-benzoxazol-2-one Traditional Name: 3-[(4-benzylpiperazino)methyl]-6-[(E)-3-phenylacryloyl]-1,3-benzoxazol-2-one Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CN3C4=C(C=C(C=C4)C(=O)C=CC5=CC=CC=C5)OC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CN3C4=C(C=C(C=C4)C(=O)/C=C/C5=CC=CC=C5)OC3=O

InChI

InChI=1S/C28H27N3O3/c32-26(14-11-22-7-3-1-4-8-22)24-12-13-25-27(19-24)34-28(33)31(25)21-30-17-15-29(16-18-30)20-23-9-5-2-6-10-23/h1-14,19H,15-18,20-21H2/b14-11+