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

Systemtic Name: (E)-3-[1-(phenylmethyl)pyrazol-4-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1-benzylpyrazol-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-[1-(phenylmethyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-1-[4-(2-thenoyl)piperazino]prop-2-en-1-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H22N4O2S/c27-21(24-10-12-25(13-11-24)22(28)20-7-4-14-29-20)9-8-19-15-23-26(17-19)16-18-5-2-1-3-6-18/h1-9,14-15,17H,10-13,16H2/b9-8+