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

Systemtic Name: 1-[3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[3-[4-(o-tolyl)-1H-pyrazol-5-yl]-1-piperidyl]-4-(2-thienyl)butan-1-one CAS Name: 1-[3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[3-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[3-[4-(o-tolyl)-1H-pyrazol-5-yl]piperidino]-4-(2-thienyl)butan-1-one Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(NN=C2)C3CCCN(C3)C(=O)CCCC4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1C2=C(NN=C2)C3CCCN(C3)C(=O)CCCC4=CC=CS4

InChI

InChI=1S/C23H27N3OS/c1-17-7-2-3-11-20(17)21-15-24-25-23(21)18-8-5-13-26(16-18)22(27)12-4-9-19-10-6-14-28-19/h2-3,6-7,10-11,14-15,18H,4-5,8-9,12-13,16H2,1H3,(H,24,25)