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

Systemtic Name: 5-azanyl-3-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenyl]-1-methyl-pyrazole-4-carboxamide Openeye Name: 5-amino-3-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenyl]-1-methyl-pyrazole-4-carboxamide CAS Name: 5-amino-3-[4-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]phenyl]-1-methyl-4-pyrazolecarboxamide IUPAC Name: 5-amino-3-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenyl]-1-methylpyrazole-4-carboxamide Traditional Name: 5-amino-3-[4-(1,3-benzodioxol-5-ylcarbamoylamino)phenyl]-1-methyl-pyrazole-4-carboxamide Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)N)N

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)N)N

InChI

InChI=1S/C19H18N6O4/c1-25-17(20)15(18(21)26)16(24-25)10-2-4-11(5-3-10)22-19(27)23-12-6-7-13-14(8-12)29-9-28-13/h2-8H,9,20H2,1H3,(H2,21,26)(H2,22,23,27)