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

Systemtic Name: butyl 4-[[4-(5-cyanopyridin-2-yl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[4-(5-cyano-2-pyridyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-(5-cyano-2-pyridinyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-(5-cyanopyridin-2-yl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(5-cyano-2-pyridyl)piperazine-1-carbonyl]amino]benzoic acid butyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3/c1-2-3-14-30-21(28)18-5-7-19(8-6-18)25-22(29)27-12-10-26(11-13-27)20-9-4-17(15-23)16-24-20/h4-9,16H,2-3,10-14H2,1H3,(H,25,29)