5-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 5-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-methoxy-N-[(1-phenyl-4-pyrazolyl)methyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O4/c1-25-17-9-15(10-18-19(17)27-8-7-26-18)20(24)21-11-14-12-22-23(13-14)16-5-3-2-4-6-16/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,21,24)