methyl 3-[[4-(2-cyanophenyl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-(2-cyanophenyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-(2-cyanophenyl)piperazine-1-carbonyl]amino]benzoate CAS Name: 3-[[[4-(2-cyanophenyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-cyanophenyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-(2-cyanophenyl)piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3/c1-27-19(25)15-6-4-7-17(13-15)22-20(26)24-11-9-23(10-12-24)18-8-3-2-5-16(18)14-21/h2-8,13H,9-12H2,1H3,(H,22,26)