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

Systemtic Name: (E)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-en-1-one Openeye Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-[4-(cyclopropanecarbonyl)piperazino]prop-2-en-1-one Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C(=O)C=CC3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C(=O)/C=C/C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C25H26N4O2S/c30-23(27-12-14-28(15-13-27)25(31)20-8-9-20)11-10-21-18-29(17-19-5-2-1-3-6-19)26-24(21)22-7-4-16-32-22/h1-7,10-11,16,18,20H,8-9,12-15,17H2/b11-10+