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

Systemtic Name: methyl 4-[[4-[(4-cyanophenyl)methyl]piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(4-cyanophenyl)methyl]piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(4-cyanophenyl)methyl]piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(4-cyanobenzyl)piperazino]methyl]benzoic acid methyl ester Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-26-21(25)20-8-6-19(7-9-20)16-24-12-10-23(11-13-24)15-18-4-2-17(14-22)3-5-18/h2-9H,10-13,15-16H2,1H3