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

Systemtic Name: N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[2-[(2,4-dichlorophenyl)methyl]-3-pyrazolyl]-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[2-(2,4-dichlorobenzyl)pyrazol-3-yl]-1-(2-thenoyl)isonipecotamide Formula: C21H20Cl2N4O2S MolecularWeight: 463.3801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H20Cl2N4O2S/c22-16-4-3-15(17(23)12-16)13-27-19(5-8-24-27)25-20(28)14-6-9-26(10-7-14)21(29)18-2-1-11-30-18/h1-5,8,11-12,14H,6-7,9-10,13H2,(H,25,28)