N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C19H18N4O3/c24-19(16-5-6-17-18(9-16)26-8-7-25-17)21-10-14-1-3-15(4-2-14)11-23-13-20-12-22-23/h1-6,9,12-13H,7-8,10-11H2,(H,21,24)