(1-cyanoindolizin-2-yl)methyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(1,2,4-triazol-1-yl)nicotinic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H12N6O2 MolecularWeight: 344.32688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=CN=C(C=C3)N4C=NC=N4)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=CN=C(C=C3)N4C=NC=N4)C#N

InChI

InChI=1S/C18H12N6O2/c19-7-15-14(9-23-6-2-1-3-16(15)23)10-26-18(25)13-4-5-17(21-8-13)24-12-20-11-22-24/h1-6,8-9,11-12H,10H2