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

Systemtic Name: methyl 4-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(1H-benzimidazol-2-ylmethyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H25N5O3/c1-30-22(29)16-6-8-17(9-7-16)23-21(28)15-27-12-10-26(11-13-27)14-20-24-18-4-2-3-5-19(18)25-20/h2-9H,10-15H2,1H3,(H,23,28)(H,24,25)