propan-2-yl 4-[2-[2-(4-azanyl-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[2-(4-azanyl-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-benzimidazolyl]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(4-aminofurazan-3-yl)benzimidazol-1-yl]acetyl]amino]benzoic acid isopropyl ester Formula: C21H20N6O4 MolecularWeight: 420.4213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N

InChI

InChI=1S/C21H20N6O4/c1-12(2)30-21(29)13-7-9-14(10-8-13)23-17(28)11-27-16-6-4-3-5-15(16)24-20(27)18-19(22)26-31-25-18/h3-10,12H,11H2,1-2H3,(H2,22,26)(H,23,28)