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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-[benzyl(isopropyl)amino]-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-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(N=CC=C2)N3C=NC=N3

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(N=CC=C2)N3C=NC=N3

InChI

InChI=1S/C20H21N5O3/c1-15(2)24(11-16-7-4-3-5-8-16)18(26)12-28-20(27)17-9-6-10-22-19(17)25-14-21-13-23-25/h3-10,13-15H,11-12H2,1-2H3