N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-pyrazol-1-yl-benzamide Formula: C19H17N3O3 MolecularWeight: 335.35658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CNC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C19H17N3O3/c23-19(14-6-8-15(9-7-14)22-11-3-10-21-22)20-12-16-13-24-17-4-1-2-5-18(17)25-16/h1-11,16H,12-13H2,(H,20,23)/t16-/m0/s1