methyl 6-[4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylpyridine-2-carboxylate

Systemtic Name: methyl 6-[4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylpyridine-2-carboxylate Openeye Name: methyl 6-[4-[2-(2-chloroanilino)-2-oxo-ethyl]piperazine-1-carbonyl]pyridine-2-carboxylate CAS Name: 6-[[4-[2-(2-chloroanilino)-2-oxoethyl]-1-piperazinyl]-oxomethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate Traditional Name: 6-[4-[2-(2-chloroanilino)-2-keto-ethyl]piperazine-1-carbonyl]picolinic acid methyl ester Formula: C20H21ClN4O4 MolecularWeight: 416.85814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=N1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC=CC(=N1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C20H21ClN4O4/c1-29-20(28)17-8-4-7-16(22-17)19(27)25-11-9-24(10-12-25)13-18(26)23-15-6-3-2-5-14(15)21/h2-8H,9-13H2,1H3,(H,23,26)