2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-(1H-pyrazol-4-ylmethyl)aniline

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-(1H-pyrazol-4-ylmethyl)aniline Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-(1H-pyrazol-4-ylmethyl)aniline CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-(1H-pyrazol-4-ylmethyl)aniline IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]-N-(1H-pyrazol-4-ylmethyl)aniline Traditional Name: [2-[3-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-5-yl]phenyl]-(1H-pyrazol-4-ylmethyl)amine Formula: C19H16N6O2 MolecularWeight: 360.36934

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=N3)C4=CC=CC=C4NCC5=CNN=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=N3)C4=CC=CC=C4NCC5=CNN=C5

InChI

InChI=1S/C19H16N6O2/c1-2-4-15(20-8-12-9-21-22-10-12)14(3-1)19-23-18(24-25-19)13-5-6-16-17(7-13)27-11-26-16/h1-7,9-10,20H,8,11H2,(H,21,22)(H,23,24,25)