N-[1-(phenylmethyl)pyrrolidin-3-yl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: N-[1-(phenylmethyl)pyrrolidin-3-yl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: 1-[oxo(thiophen-2-yl)methyl]-N-[1-(phenylmethyl)-3-pyrrolidinyl]-3-piperidinecarboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-1-(2-thenoyl)nipecotamide Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CS2)C(=O)NC3CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=CS2)C(=O)NC3CCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O2S/c26-21(18-8-4-11-25(15-18)22(27)20-9-5-13-28-20)23-19-10-12-24(16-19)14-17-6-2-1-3-7-17/h1-3,5-7,9,13,18-19H,4,8,10-12,14-16H2,(H,23,26)