[2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [2-(1,2-diphenylethylamino)-2-oxidanylidene-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(1,2-diphenylethylamino)-2-oxo-ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [2-(1,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid [2-(1,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C24H21N5O3 MolecularWeight: 427.45524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N5O3/c30-22(15-32-24(31)20-12-7-13-26-23(20)29-17-25-16-27-29)28-21(19-10-5-2-6-11-19)14-18-8-3-1-4-9-18/h1-13,16-17,21H,14-15H2,(H,28,30)