1-[4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]carbonylthiophen-2-yl]ethanone

Systemtic Name: 1-[4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]carbonylthiophen-2-yl]ethanone Openeye Name: 1-[4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-thienyl]ethanone CAS Name: 1-[4-[oxo-[3-(4-phenyl-1H-pyrazol-5-yl)-1-piperidinyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[3-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-thienyl]ethanone Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C(=O)N2CCCC(C2)C3=C(C=NN3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CS1)C(=O)N2CCCC(C2)C3=C(C=NN3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c1-14(25)19-10-17(13-27-19)21(26)24-9-5-8-16(12-24)20-18(11-22-23-20)15-6-3-2-4-7-15/h2-4,6-7,10-11,13,16H,5,8-9,12H2,1H3,(H,22,23)