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

Systemtic Name: (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-1-[4-(2-thenoyl)piperazino]prop-2-en-1-one Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C28H26N4O2S/c33-26(30-15-17-31(18-16-30)28(34)25-12-7-19-35-25)14-13-24-21-32(20-22-8-3-1-4-9-22)29-27(24)23-10-5-2-6-11-23/h1-14,19,21H,15-18,20H2/b14-13+