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

Systemtic Name: methyl 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(1H-benzimidazol-2-ylmethyl)piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1H-benzimidazol-2-ylmethyl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(1H-benzimidazol-2-ylmethyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H22N4O3/c1-28-21(27)16-8-6-15(7-9-16)20(26)25-12-10-24(11-13-25)14-19-22-17-4-2-3-5-18(17)23-19/h2-9H,10-14H2,1H3,(H,22,23)