[(3R)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [(3R)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-yl-methanone Openeye Name: [(3R)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-3-piperidyl]-(2-thienyl)methanone CAS Name: [(3R)-1-[[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-piperidinyl]-thiophen-2-ylmethanone IUPAC Name: [(3R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone Traditional Name: [(3R)-1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-3-piperidyl]-(2-thienyl)methanone Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)CN3CCCC(C3)C(=O)C4=CC=CS4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)CN3CCC[C@H](C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H22ClN3OS/c1-24-12-17(20(23-24)15-5-2-7-18(22)11-15)14-25-9-3-6-16(13-25)21(26)19-8-4-10-27-19/h2,4-5,7-8,10-12,16H,3,6,9,13-14H2,1H3/t16-/m1/s1