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

Systemtic Name: (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]-1-(4-piperidin-1-ylcarbonylpiperidin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-[4-(piperidine-1-carbonyl)-1-piperidyl]prop-2-en-1-one CAS Name: (E)-1-[4-[oxo(1-piperidinyl)methyl]-1-piperidinyl]-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-(piperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]-1-[4-(piperidine-1-carbonyl)piperidino]prop-2-en-1-one Formula: C28H32N4O2S MolecularWeight: 488.64428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C=CC3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C28H32N4O2S/c33-26(30-17-13-23(14-18-30)28(34)31-15-5-2-6-16-31)12-11-24-21-32(20-22-8-3-1-4-9-22)29-27(24)25-10-7-19-35-25/h1,3-4,7-12,19,21,23H,2,5-6,13-18,20H2/b12-11+