6-[2-[4-(2-cyclohexylethyl)piperazin-1-yl]ethyl]-2-oxidanylidene-3H-benzimidazole-1-carboxylic acid

Systemtic Name: 6-[2-[4-(2-cyclohexylethyl)piperazin-1-yl]ethyl]-2-oxidanylidene-3H-benzimidazole-1-carboxylic acid Openeye Name: 6-[2-[4-(2-cyclohexylethyl)piperazin-1-yl]ethyl]-2-oxo-3H-benzimidazole-1-carboxylic acid CAS Name: 6-[2-[4-(2-cyclohexylethyl)-1-piperazinyl]ethyl]-2-oxo-3H-benzimidazole-1-carboxylic acid IUPAC Name: 6-[2-[4-(2-cyclohexylethyl)piperazin-1-yl]ethyl]-2-oxo-3H-benzimidazole-1-carboxylic acid Traditional Name: 6-[2-[4-(2-cyclohexylethyl)piperazino]ethyl]-2-keto-3H-benzimidazole-1-carboxylic acid Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCN2CCN(CC2)CCC3=CC4=C(C=C3)NC(=O)N4C(=O)O

Isomeric SMILES

C1CCC(CC1)CCN2CCN(CC2)CCC3=CC4=C(C=C3)NC(=O)N4C(=O)O

InChI

InChI=1S/C22H32N4O3/c27-21-23-19-7-6-18(16-20(19)26(21)22(28)29)9-11-25-14-12-24(13-15-25)10-8-17-4-2-1-3-5-17/h6-7,16-17H,1-5,8-15H2,(H,23,27)(H,28,29)