methyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-(pyridin-3-ylcarbonylamino)benzoate

Systemtic Name: methyl 4-[4-(phenylcarbonyl)piperazin-1-yl]-3-(pyridin-3-ylcarbonylamino)benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[oxo(3-pyridinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-nicotinamido-benzoic acid methyl ester Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H24N4O4/c1-33-25(32)19-9-10-22(21(16-19)27-23(30)20-8-5-11-26-17-20)28-12-14-29(15-13-28)24(31)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3,(H,27,30)