[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate

Systemtic Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate Openeye Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate CAS Name: 6-(1-pyrazolyl)-3-pyridinecarboxylic acid [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate Traditional Name: 6-pyrazol-1-ylnicotinic acid [2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl] ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)C2=CN=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)C2=CN=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H20N4O4/c1-15-4-2-5-17(12-15)27-11-9-21-19(25)14-28-20(26)16-6-7-18(22-13-16)24-10-3-8-23-24/h2-8,10,12-13H,9,11,14H2,1H3,(H,21,25)