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

Systemtic Name: 1-[3-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-[3-[4-(2-amino-2-oxo-ethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-[3-[4-(2-amino-2-oxoethyl)-1-piperazinyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-[3-[4-(2-amino-2-keto-ethyl)piperazino]phenyl]benzimidazole-5-carboxylic acid Formula: C20H21N5O3 MolecularWeight: 379.41244

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c21-19(26)12-23-6-8-24(9-7-23)15-2-1-3-16(11-15)25-13-22-17-10-14(20(27)28)4-5-18(17)25/h1-5,10-11,13H,6-9,12H2,(H2,21,26)(H,27,28)