methyl 4-(4-pyridin-4-ylcarbonylpiperazin-1-yl)carbonylbenzoate

Systemtic Name: methyl 4-(4-pyridin-4-ylcarbonylpiperazin-1-yl)carbonylbenzoate Openeye Name: methyl 4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzoate CAS Name: 4-[oxo-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzoate Traditional Name: 4-(4-isonicotinoylpiperazine-1-carbonyl)benzoic acid methyl ester Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C19H19N3O4/c1-26-19(25)16-4-2-14(3-5-16)17(23)21-10-12-22(13-11-21)18(24)15-6-8-20-9-7-15/h2-9H,10-13H2,1H3