ethyl 3-[[4-(5-cyanopyridin-2-yl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[4-(5-cyanopyridin-2-yl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-(5-cyano-2-pyridyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 3-[[[4-(5-cyano-2-pyridinyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(5-cyanopyridin-2-yl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-(5-cyano-2-pyridyl)piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c1-2-28-19(26)16-4-3-5-17(12-16)23-20(27)25-10-8-24(9-11-25)18-7-6-15(13-21)14-22-18/h3-7,12,14H,2,8-11H2,1H3,(H,23,27)