[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methoxy-1-phenyl-pyrazol-3-yl)methanone

Systemtic Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methoxy-1-phenyl-pyrazol-3-yl)methanone Openeye Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-methoxy-1-phenyl-pyrazol-3-yl)methanone CAS Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(4-methoxy-1-phenyl-3-pyrazolyl)methanone IUPAC Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methoxy-1-phenylpyrazol-3-yl)methanone Traditional Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-(4-methoxy-1-phenyl-pyrazol-3-yl)methanone Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

COC1=CN(N=C1C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C23H22N4O2S/c1-29-19-15-27(17-9-3-2-4-10-17)25-21(19)23(28)26-13-7-8-16(14-26)22-24-18-11-5-6-12-20(18)30-22/h2-6,9-12,15-16H,7-8,13-14H2,1H3/t16-/m1/s1