ethyl 3-[[4-(4-cyanophenyl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[4-(4-cyanophenyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-(4-cyanophenyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 3-[[[4-(4-cyanophenyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-cyanophenyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-(4-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(=CC=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

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

InChI

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