[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [2-[4-(2-hydroxyethyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-[4-(2-hydroxyethyl)piperazino]-2-keto-ethyl] ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C(=O)COC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1CCO)C(=O)COC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C21H23N5O4/c27-11-10-25-6-8-26(9-7-25)19(28)14-30-21(29)15-3-4-17-18(12-15)24-20(23-17)16-2-1-5-22-13-16/h1-5,12-13,27H,6-11,14H2,(H,23,24)