(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxidanylidene-ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxo-ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[2-(3,5-dimethyl-1-pyrazolyl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-keto-ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CNC(=O)C2COC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=CC(=NN1C(=O)CNC(=O)[C@@H]2COC3=CC=CC=C3O2)C

InChI

InChI=1S/C16H17N3O4/c1-10-7-11(2)19(18-10)15(20)8-17-16(21)14-9-22-12-5-3-4-6-13(12)23-14/h3-7,14H,8-9H2,1-2H3,(H,17,21)/t14-/m0/s1