N-[1-[(E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoyl]piperidin-4-yl]benzamide

Systemtic Name: N-[1-[(E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoyl]piperidin-4-yl]benzamide Openeye Name: N-[1-[(E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoyl]-4-piperidyl]benzamide CAS Name: N-[1-[(E)-1-oxo-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]prop-2-enyl]-4-piperidinyl]benzamide IUPAC Name: N-[1-[(E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]piperidin-4-yl]benzamide Traditional Name: N-[1-[(E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]acryloyl]-4-piperidyl]benzamide Formula: C29H28N4O2S MolecularWeight: 496.62322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC=CC=C2)C(=O)C=CC3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC=CC=C2)C(=O)/C=C/C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O2S/c34-27(32-17-15-25(16-18-32)30-29(35)23-10-5-2-6-11-23)14-13-24-21-33(20-22-8-3-1-4-9-22)31-28(24)26-12-7-19-36-26/h1-14,19,21,25H,15-18,20H2,(H,30,35)/b14-13+