[4-(2-cyanophenyl)phenyl]methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid [4-(2-cyanophenyl)benzyl] ester Formula: C22H15N5O2 MolecularWeight: 381.3868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COC(=O)C3=C(N=CC=C3)N4C=NC=N4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COC(=O)C3=C(N=CC=C3)N4C=NC=N4

InChI

InChI=1S/C22H15N5O2/c23-12-18-4-1-2-5-19(18)17-9-7-16(8-10-17)13-29-22(28)20-6-3-11-25-21(20)27-15-24-14-26-27/h1-11,14-15H,13H2