3-(1,3-benzodioxol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(1-pyrazolylmethyl)phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NC4=CC=CC(=C4)CN5C=CC=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NC4=CC=CC(=C4)CN5C=CC=N5

InChI

InChI=1S/C21H17N5O3/c27-21(23-16-4-1-3-14(9-16)12-26-8-2-7-22-26)18-11-17(24-25-18)15-5-6-19-20(10-15)29-13-28-19/h1-11H,12-13H2,(H,23,27)(H,24,25)