(E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-1-(4-phenyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-(4-phenylpiperazino)prop-2-en-1-one Formula: C27H26N4OS MolecularWeight: 454.58654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C=CC3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)/C=C/C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4OS/c32-26(30-17-15-29(16-18-30)24-10-5-2-6-11-24)14-13-23-21-31(20-22-8-3-1-4-9-22)28-27(23)25-12-7-19-33-25/h1-14,19,21H,15-18,20H2/b14-13+