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

Systemtic Name: 1-[3-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]phenyl]-2-(1-hydroxyethyl)benzimidazole-5-carboxylate Openeye Name: 1-[3-[4-(2-amino-2-oxo-ethyl)piperazin-1-yl]phenyl]-2-(1-hydroxyethyl)benzimidazole-5-carboxylate CAS Name: 1-[3-[4-(2-amino-2-oxoethyl)-1-piperazinyl]phenyl]-2-(1-hydroxyethyl)-5-benzimidazolecarboxylate IUPAC Name: 1-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]-2-(1-hydroxyethyl)benzimidazole-5-carboxylate Traditional Name: 1-[3-[4-(2-amino-2-keto-ethyl)piperazino]phenyl]-2-(1-hydroxyethyl)benzimidazole-5-carboxylate Formula: C22H24N5O4- MolecularWeight: 422.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1C3=CC(=CC=C3)N4CCN(CC4)CC(=O)N)C=CC(=C2)C(=O)[O-])O

Isomeric SMILES

CC(C1=NC2=C(N1C3=CC(=CC=C3)N4CCN(CC4)CC(=O)N)C=CC(=C2)C(=O)[O-])O

InChI

InChI=1S/C22H25N5O4/c1-14(28)21-24-18-11-15(22(30)31)5-6-19(18)27(21)17-4-2-3-16(12-17)26-9-7-25(8-10-26)13-20(23)29/h2-6,11-12,14,28H,7-10,13H2,1H3,(H2,23,29)(H,30,31)/p-1