ethyl 4-(4-ethanoylpiperazin-1-yl)-3-(pyridin-3-ylcarbonylamino)benzoate

Systemtic Name: ethyl 4-(4-ethanoylpiperazin-1-yl)-3-(pyridin-3-ylcarbonylamino)benzoate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[oxo(3-pyridinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)benzoate Traditional Name: 4-(4-acetylpiperazino)-3-nicotinamido-benzoic acid ethyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-3-29-21(28)16-6-7-19(25-11-9-24(10-12-25)15(2)26)18(13-16)23-20(27)17-5-4-8-22-14-17/h4-8,13-14H,3,9-12H2,1-2H3,(H,23,27)