5-chloranyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxamide Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCC3COC4=CC=CC=C4O3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCC3COC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-14-7-9-16(10-8-14)12-26-21(23)20(15(2)25-26)22(27)24-11-17-13-28-18-5-3-4-6-19(18)29-17/h3-10,17H,11-13H2,1-2H3,(H,24,27)