N-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-(2-benzyl-5-tert-butyl-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[5-tert-butyl-2-(phenylmethyl)-3-pyrazolyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-(2-benzyl-5-tert-butylpyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-(2-benzyl-5-tert-butyl-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2COC3=CC=CC=C3O2)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2COC3=CC=CC=C3O2)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c1-23(2,3)20-13-21(26(25-20)14-16-9-5-4-6-10-16)24-22(27)19-15-28-17-11-7-8-12-18(17)29-19/h4-13,19H,14-15H2,1-3H3,(H,24,27)