methyl 4-[[2-(1H-benzimidazol-2-yl)-4-(phenylmethyl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[2-(1H-benzimidazol-2-yl)-4-(phenylmethyl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-(1H-benzimidazol-2-yl)-4-benzyl-piperazin-1-yl]methyl]benzoate CAS Name: 4-[[2-(1H-benzimidazol-2-yl)-4-(phenylmethyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1H-benzimidazol-2-yl)-4-benzylpiperazin-1-yl]methyl]benzoate Traditional Name: 4-[[2-(1H-benzimidazol-2-yl)-4-benzyl-piperazino]methyl]benzoic acid methyl ester Formula: C27H28N4O2 MolecularWeight: 440.53682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2C3=NC4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2C3=NC4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c1-33-27(32)22-13-11-21(12-14-22)18-31-16-15-30(17-20-7-3-2-4-8-20)19-25(31)26-28-23-9-5-6-10-24(23)29-26/h2-14,25H,15-19H2,1H3,(H,28,29)