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

Systemtic Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylcarbonylamino)benzoate Openeye Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[oxo(3-pyridinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)benzoate Traditional Name: 4-(4-ethylpiperazino)-3-nicotinamido-benzoic acid ethyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H26N4O3/c1-3-24-10-12-25(13-11-24)19-8-7-16(21(27)28-4-2)14-18(19)23-20(26)17-6-5-9-22-15-17/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,23,26)