4-[5-(1,3-benzodioxol-5-yl)-1-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]benzamide

Systemtic Name: 4-[5-(1,3-benzodioxol-5-yl)-1-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]benzamide Openeye Name: 4-[5-(1,3-benzodioxol-5-yl)-1-(6-methyl-2-pyridyl)-1,2,4-triazol-3-yl]benzamide CAS Name: 4-[5-(1,3-benzodioxol-5-yl)-1-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]benzamide IUPAC Name: 4-[5-(1,3-benzodioxol-5-yl)-1-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]benzamide Traditional Name: 4-[5-(1,3-benzodioxol-5-yl)-1-(6-methyl-2-pyridyl)-1,2,4-triazol-3-yl]benzamide Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C(=NC(=N2)C3=CC=C(C=C3)C(=O)N)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=CC=C1)N2C(=NC(=N2)C3=CC=C(C=C3)C(=O)N)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H17N5O3/c1-13-3-2-4-19(24-13)27-22(16-9-10-17-18(11-16)30-12-29-17)25-21(26-27)15-7-5-14(6-8-15)20(23)28/h2-11H,12H2,1H3,(H2,23,28)