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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(NN=C2)C3CCCN(C3)C(=O)CCC4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1C2=C(NN=C2)[C@H]3CCCN(C3)C(=O)CCC4=CC=CS4

InChI

InChI=1S/C22H25N3OS/c1-16-6-2-3-9-19(16)20-14-23-24-22(20)17-7-4-12-25(15-17)21(26)11-10-18-8-5-13-27-18/h2-3,5-6,8-9,13-14,17H,4,7,10-12,15H2,1H3,(H,23,24)/t17-/m0/s1