[2-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate

Systemtic Name: [2-[[2-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate Openeye Name: [2-[2-[2-(4-methoxyphenyl)ethylcarbamoyl]anilino]-2-oxo-ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate CAS Name: 6-(1-pyrazolyl)-3-pyridinecarboxylic acid [2-[2-[[2-(4-methoxyphenyl)ethylamino]-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[2-(4-methoxyphenyl)ethylcarbamoyl]anilino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate Traditional Name: 6-pyrazol-1-ylnicotinic acid [2-keto-2-[2-[2-(4-methoxyphenyl)ethylcarbamoyl]anilino]ethyl] ester Formula: C27H25N5O5 MolecularWeight: 499.5179

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C27H25N5O5/c1-36-21-10-7-19(8-11-21)13-15-28-26(34)22-5-2-3-6-23(22)31-25(33)18-37-27(35)20-9-12-24(29-17-20)32-16-4-14-30-32/h2-12,14,16-17H,13,15,18H2,1H3,(H,28,34)(H,31,33)