N-[1-(2-methylpropyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[1-(2-methylpropyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[1-isobutyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[1-(2-methylpropyl)-2-(1-pyrazolylmethyl)-5-benzimidazolyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[1-(2-methylpropyl)-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[1-isobutyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Formula: C23H24N6O4 MolecularWeight: 448.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])N=C1CN4C=CC=N4

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])N=C1CN4C=CC=N4

InChI

InChI=1S/C23H24N6O4/c1-16(2)13-28-21-9-4-17(12-20(21)26-22(28)14-27-11-3-10-24-27)25-23(30)15-33-19-7-5-18(6-8-19)29(31)32/h3-12,16H,13-15H2,1-2H3,(H,25,30)