N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-1-(5-cyano-2-pyridyl)piperidine-4-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-1-(5-cyano-2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Traditional Name: 1-(5-cyano-2-pyridyl)-N-(4-methyl-5-piperonyl-thiazol-2-yl)isonipecotamide Formula: C24H23N5O3S MolecularWeight: 461.53612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H23N5O3S/c1-15-21(11-16-2-4-19-20(10-16)32-14-31-19)33-24(27-15)28-23(30)18-6-8-29(9-7-18)22-5-3-17(12-25)13-26-22/h2-5,10,13,18H,6-9,11,14H2,1H3,(H,27,28,30)