3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(1,2,4-triazol-1-yl)nicotinic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C18H16N6O3 MolecularWeight: 364.35804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)N2CCCOC(=O)C3=CN=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCOC(=O)C3=CN=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C18H16N6O3/c25-17(13-6-7-16(20-10-13)24-12-19-11-21-24)27-9-3-8-23-15-5-2-1-4-14(15)22-18(23)26/h1-2,4-7,10-12H,3,8-9H2,(H,22,26)