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

Systemtic Name: 2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: 2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: 2-methyl-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: 2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: 2-methyl-N-[2-(pyrazol-1-ylmethyl)benzyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)NCC3=CC=CC=C3CN4C=CC=N4

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)NCC3=CC=CC=C3CN4C=CC=N4

InChI

InChI=1S/C21H21N3O3/c1-15-20(27-19-10-5-4-9-18(19)26-15)21(25)22-13-16-7-2-3-8-17(16)14-24-12-6-11-23-24/h2-12,15,20H,13-14H2,1H3,(H,22,25)