[(2S)-1-oxidanylidene-1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1S)-2-keto-2-[(2-keto-1,3-dihydrobenzimidazol-5-yl)amino]-1-methyl-ethyl] ester Formula: C20H17N5O4 MolecularWeight: 391.38008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)OC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H17N5O4/c1-12(18(26)22-14-5-8-16-17(11-14)24-20(28)23-16)29-19(27)13-3-6-15(7-4-13)25-10-2-9-21-25/h2-12H,1H3,(H,22,26)(H2,23,24,28)/t12-/m0/s1