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

Systemtic Name: 2-methyl-1-[4-[(E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[(E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 2-methyl-1-[4-[(E)-1-oxo-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]prop-2-enyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[(E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[(E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]acryloyl]piperazino]-2-methyl-propan-1-one Formula: C25H28N4O2S MolecularWeight: 448.58042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2S/c1-19(2)25(31)28-14-12-27(13-15-28)23(30)11-10-21-18-29(17-20-7-4-3-5-8-20)26-24(21)22-9-6-16-32-22/h3-11,16,18-19H,12-15,17H2,1-2H3/b11-10+