1-[3-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-thiophen-2-yl-propan-1-one

Systemtic Name: 1-[3-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-thiophen-2-yl-propan-1-one Openeye Name: 1-[3-(4-benzyl-1H-pyrazol-5-yl)-1-piperidyl]-3-(2-thienyl)propan-1-one CAS Name: 1-[3-[4-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-thiophen-2-yl-1-propanone IUPAC Name: 1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one Traditional Name: 1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidino]-3-(2-thienyl)propan-1-one Formula: C22H25N3OS MolecularWeight: 379.5184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2=CC=CS2)C3=C(C=NN3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)CCC2=CC=CS2)C3=C(C=NN3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3OS/c26-21(11-10-20-9-5-13-27-20)25-12-4-8-18(16-25)22-19(15-23-24-22)14-17-6-2-1-3-7-17/h1-3,5-7,9,13,15,18H,4,8,10-12,14,16H2,(H,23,24)