N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carboxamide Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=CC4=C(C=C3Br)OCCO4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=CC4=C(C=C3Br)OCCO4)C

InChI

InChI=1S/C22H22BrN3O3/c1-13-4-6-16(7-5-13)12-26-15(3)21(14(2)25-26)22(27)24-18-11-20-19(10-17(18)23)28-8-9-29-20/h4-7,10-11H,8-9,12H2,1-3H3,(H,24,27)