N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-3-piperidinecarboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(2-thenoyl)nipecotamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CS2)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=CS2)C(=O)NCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S/c32-26(21-11-7-15-30(18-21)27(33)24-14-8-16-34-24)28-17-22-19-31(23-12-5-2-6-13-23)29-25(22)20-9-3-1-4-10-20/h1-6,8-10,12-14,16,19,21H,7,11,15,17-18H2,(H,28,32)