phenyl-[4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]methanone

Systemtic Name: phenyl-[4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]methanone Openeye Name: [4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazino]-phenyl-methanone Formula: C26H24N4O2S MolecularWeight: 456.55936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O2S/c31-25(21-10-5-2-6-11-21)28-13-15-29(16-14-28)26(32)22-19-30(18-20-8-3-1-4-9-20)27-24(22)23-12-7-17-33-23/h1-12,17,19H,13-16,18H2