5-azanyl-3-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenyl]-1-tert-butyl-pyrazole-4-carboxamide

Systemtic Name: 5-azanyl-3-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenyl]-1-tert-butyl-pyrazole-4-carboxamide Openeye Name: 5-amino-3-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenyl]-1-tert-butyl-pyrazole-4-carboxamide CAS Name: 5-amino-3-[4-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]phenyl]-1-tert-butyl-4-pyrazolecarboxamide IUPAC Name: 5-amino-3-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenyl]-1-tert-butylpyrazole-4-carboxamide Traditional Name: 5-amino-3-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenyl]-1-tert-butyl-pyrazole-4-carboxamide Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C(=N1)C2=CC=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)N)N

Isomeric SMILES

CC(C)(C)N1C(=C(C(=N1)C2=CC=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)N)N

InChI

InChI=1S/C22H24N6O4/c1-22(2,3)28-19(23)17(20(24)29)18(27-28)12-4-6-13(7-5-12)25-21(30)26-14-8-9-15-16(10-14)32-11-31-15/h4-10H,11,23H2,1-3H3,(H2,24,29)(H2,25,26,30)