(3S)-N-(5-tert-butyl-2-methyl-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-(5-tert-butyl-2-methyl-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-(5-tert-butyl-2-methyl-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-(5-tert-butyl-2-methyl-3-pyrazolyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-(5-tert-butyl-2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-(5-tert-butyl-2-methyl-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2COC3=CC=CC=C3O2)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)[C@@H]2COC3=CC=CC=C3O2)C

InChI

InChI=1S/C17H21N3O3/c1-17(2,3)14-9-15(20(4)19-14)18-16(21)13-10-22-11-7-5-6-8-12(11)23-13/h5-9,13H,10H2,1-4H3,(H,18,21)/t13-/m0/s1