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

Systemtic Name: methyl 6-[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]carbonylpyridine-2-carboxylate Openeye Name: methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazine-1-carbonyl]pyridine-2-carboxylate CAS Name: 6-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazinyl]-oxomethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]pyridine-2-carboxylate Traditional Name: 6-[4-[2-(2,6-dimethylanilino)-2-keto-ethyl]piperazine-1-carbonyl]picolinic acid methyl ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=NC(=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=NC(=CC=C3)C(=O)OC

InChI

InChI=1S/C22H26N4O4/c1-15-6-4-7-16(2)20(15)24-19(27)14-25-10-12-26(13-11-25)21(28)17-8-5-9-18(23-17)22(29)30-3/h4-9H,10-14H2,1-3H3,(H,24,27)