N-(4-pyrazol-1-ylphenyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxamide

Systemtic Name: N-(4-pyrazol-1-ylphenyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxamide Openeye Name: N-(4-pyrazol-1-ylphenyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxamide CAS Name: N-[4-(1-pyrazolyl)phenyl]-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-4-piperidinecarboxamide IUPAC Name: N-(4-pyrazol-1-ylphenyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxamide Traditional Name: N-(4-pyrazol-1-ylphenyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)isonipecotamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C23H27N5OS/c29-23(25-18-6-8-19(9-7-18)28-13-3-12-24-28)17-10-14-27(15-11-17)16-22-26-20-4-1-2-5-21(20)30-22/h3,6-9,12-13,17H,1-2,4-5,10-11,14-16H2,(H,25,29)