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

Systemtic Name: (3S)-N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1)NC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC(C)(C)C1=CC(=NN1)NC(=O)[C@@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H19N3O3/c1-16(2,3)13-8-14(19-18-13)17-15(20)12-9-21-10-6-4-5-7-11(10)22-12/h4-8,12H,9H2,1-3H3,(H2,17,18,19,20)/t12-/m0/s1