ethyl 4-[[4-(2-cyanophenyl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-(2-cyanophenyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(2-cyanophenyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-(2-cyanophenyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-cyanophenyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(2-cyanophenyl)piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H22N4O3/c1-2-28-20(26)16-7-9-18(10-8-16)23-21(27)25-13-11-24(12-14-25)19-6-4-3-5-17(19)15-22/h3-10H,2,11-14H2,1H3,(H,23,27)