1-[3-[4-(cyanomethyl)piperazin-1-yl]phenyl]-2-(1-methoxyethyl)benzimidazole-5-carboxylic acid

Systemtic Name: 1-[3-[4-(cyanomethyl)piperazin-1-yl]phenyl]-2-(1-methoxyethyl)benzimidazole-5-carboxylic acid Openeye Name: 1-[3-[4-(cyanomethyl)piperazin-1-yl]phenyl]-2-(1-methoxyethyl)benzimidazole-5-carboxylic acid CAS Name: 1-[3-[4-(cyanomethyl)-1-piperazinyl]phenyl]-2-(1-methoxyethyl)-5-benzimidazolecarboxylic acid IUPAC Name: 1-[3-[4-(cyanomethyl)piperazin-1-yl]phenyl]-2-(1-methoxyethyl)benzimidazole-5-carboxylic acid Traditional Name: 1-[3-[4-(cyanomethyl)piperazino]phenyl]-2-(1-methoxyethyl)benzimidazole-5-carboxylic acid Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1C3=CC(=CC=C3)N4CCN(CC4)CC#N)C=CC(=C2)C(=O)O)OC

Isomeric SMILES

CC(C1=NC2=C(N1C3=CC(=CC=C3)N4CCN(CC4)CC#N)C=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C23H25N5O3/c1-16(31-2)22-25-20-14-17(23(29)30)6-7-21(20)28(22)19-5-3-4-18(15-19)27-12-10-26(9-8-24)11-13-27/h3-7,14-16H,9-13H2,1-2H3,(H,29,30)