2-[4-(3-cyanophenyl)carbonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-[4-(3-cyanophenyl)carbonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[4-(3-cyanobenzoyl)piperazin-1-yl]-N-(2-thienylmethyl)pyridine-3-carboxamide CAS Name: 2-[4-[(3-cyanophenyl)-oxomethyl]-1-piperazinyl]-N-(thiophen-2-ylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[4-(3-cyanobenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-[4-(3-cyanobenzoyl)piperazino]-N-(2-thenyl)nicotinamide Formula: C23H21N5O2S MolecularWeight: 431.51014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C(=O)NCC3=CC=CS3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C(=O)NCC3=CC=CS3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H21N5O2S/c24-15-17-4-1-5-18(14-17)23(30)28-11-9-27(10-12-28)21-20(7-2-8-25-21)22(29)26-16-19-6-3-13-31-19/h1-8,13-14H,9-12,16H2,(H,26,29)