5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: 2-benzyl-5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxamide CAS Name: 5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: 2-benzyl-5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxamide Traditional Name: 2-benzyl-5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxamide Formula: C23H25N3O3 MolecularWeight: 391.4629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

InChI

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