2-[4-[(E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoyl]piperazin-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[(E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoyl]piperazin-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[(E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoyl]piperazin-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[(E)-1-oxo-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]prop-2-enyl]-1-piperazinyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[(E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[(E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]acryloyl]piperazino]-N-isopropyl-acetamide Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)CN1CCN(CC1)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N5O2S/c1-20(2)27-24(32)19-29-12-14-30(15-13-29)25(33)11-10-22-18-31(17-21-7-4-3-5-8-21)28-26(22)23-9-6-16-34-23/h3-11,16,18,20H,12-15,17,19H2,1-2H3,(H,27,32)/b11-10+