(E)-3-(4-phenylmethoxyphenyl)-1-[4-(phenylmethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-phenylmethoxyphenyl)-1-[4-(phenylmethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-benzyloxyphenyl)-1-(4-benzylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-phenylmethoxyphenyl)-1-[4-(phenylmethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-benzoxyphenyl)-1-(4-benzylpiperazino)prop-2-en-1-one Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2/c30-27(29-19-17-28(18-20-29)21-24-7-3-1-4-8-24)16-13-23-11-14-26(15-12-23)31-22-25-9-5-2-6-10-25/h1-16H,17-22H2/b16-13+