N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridin-3-yl)carbonylpiperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridin-3-yl)carbonylpiperidin-4-yl]pyridine-3-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)-4-piperidyl]pyridine-3-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-6-methyl-2-[1-[oxo-[6-(1-pyrazolyl)-3-pyridinyl]methyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methyl-2-[1-(6-pyrazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]pyridine-3-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-6-methyl-2-[1-(6-pyrazol-1-ylnicotinoyl)-4-piperidyl]nicotinamide Formula: C28H30N6O3S MolecularWeight: 530.6412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3CCN(CC3)C(=O)C4=CN=C(C=C4)N5C=CC=N5

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCSCC2=CC=CO2)C3CCN(CC3)C(=O)C4=CN=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C28H30N6O3S/c1-20-5-7-24(27(35)29-12-17-38-19-23-4-2-16-37-23)26(32-20)21-9-14-33(15-10-21)28(36)22-6-8-25(30-18-22)34-13-3-11-31-34/h2-8,11,13,16,18,21H,9-10,12,14-15,17,19H2,1H3,(H,29,35)