(E)-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-yl]-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(2-keto-2-piperidino-ethyl)piperazino]-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-en-1-one Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)/C=C/C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H31N5O2S/c33-25(31-17-15-29(16-18-31)21-26(34)30-13-5-2-6-14-30)12-11-22-20-32(23-8-3-1-4-9-23)28-27(22)24-10-7-19-35-24/h1,3-4,7-12,19-20H,2,5-6,13-18,21H2/b12-11+