N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-phenyl-triazole-4-carboxamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-phenyl-triazole-4-carboxamide Formula: C18H16N4O3 MolecularWeight: 336.34464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=NN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CNC(=O)C3=NN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H16N4O3/c23-18(15-11-20-22(21-15)13-6-2-1-3-7-13)19-10-14-12-24-16-8-4-5-9-17(16)25-14/h1-9,11,14H,10,12H2,(H,19,23)/t14-/m0/s1