[2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate

Systemtic Name: [2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate Openeye Name: [2-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate CAS Name: 6-(1-pyrazolyl)-3-pyridinecarboxylic acid [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 6-pyrazol-1-ylpyridine-3-carboxylate Traditional Name: 6-pyrazol-1-ylnicotinic acid [2-keto-2-[[2-keto-2-(p-toluidino)ethyl]-methyl-amino]ethyl] ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4/c1-15-4-7-17(8-5-15)24-19(27)13-25(2)20(28)14-30-21(29)16-6-9-18(22-12-16)26-11-3-10-23-26/h3-12H,13-14H2,1-2H3,(H,24,27)