ethyl (3S)-1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[5-(5-methyl-2-furyl)-1,2,4-triazin-3-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[5-(5-methyl-2-furanyl)-1,2,4-triazin-3-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[5-(5-methylfuran-2-yl)-1,2,4-triazin-3-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-(5-methyl-2-furyl)-1,2,4-triazin-3-yl]nipecotic acid ethyl ester Formula: C16H20N4O3 MolecularWeight: 316.355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC(=CN=N2)C3=CC=C(O3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=NC(=CN=N2)C3=CC=C(O3)C

InChI

InChI=1S/C16H20N4O3/c1-3-22-15(21)12-5-4-8-20(10-12)16-18-13(9-17-19-16)14-7-6-11(2)23-14/h6-7,9,12H,3-5,8,10H2,1-2H3/t12-/m0/s1