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

Systemtic Name: [1-oxidanylidene-1-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [1-methyl-2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-keto-2-[(2-keto-1,3-dihydrobenzimidazol-5-yl)amino]-1-methyl-ethyl] ester Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)OC(=O)C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)OC(=O)C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C21H19N5O4/c1-13(19(27)23-16-7-8-17-18(11-16)25-21(29)24-17)30-20(28)15-5-3-14(4-6-15)12-26-10-2-9-22-26/h2-11,13H,12H2,1H3,(H,23,27)(H2,24,25,29)