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

Systemtic Name: 2-hydroxyethyl 1-[3-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylate Openeye Name: 2-hydroxyethyl 1-[3-[4-(2-amino-2-oxo-ethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylate CAS Name: 1-[3-[4-(2-amino-2-oxoethyl)-1-piperazinyl]phenyl]-5-benzimidazolecarboxylic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 1-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylate Traditional Name: 1-[3-[4-(2-amino-2-keto-ethyl)piperazino]phenyl]benzimidazole-5-carboxylic acid 2-hydroxyethyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N)C2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C(=O)OCCO

Isomeric SMILES

C1CN(CCN1CC(=O)N)C2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C(=O)OCCO

InChI

InChI=1S/C22H25N5O4/c23-21(29)14-25-6-8-26(9-7-25)17-2-1-3-18(13-17)27-15-24-19-12-16(4-5-20(19)27)22(30)31-11-10-28/h1-5,12-13,15,28H,6-11,14H2,(H2,23,29)