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

Systemtic Name: methyl 4-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(4-cyanobenzyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24N4O3/c1-29-22(28)19-6-8-20(9-7-19)24-21(27)16-26-12-10-25(11-13-26)15-18-4-2-17(14-23)3-5-18/h2-9H,10-13,15-16H2,1H3,(H,24,27)