N-[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-bromanyl-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-bromo-1-(m-tolylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-bromo-1-[(3-methylphenyl)methyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-bromo-1-(3-methylbenzyl)pyrazol-3-yl]-piperonylamide Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)C3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C(=N2)NC(=O)C3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C19H16BrN3O3/c1-12-3-2-4-13(7-12)9-23-10-15(20)18(22-23)21-19(24)14-5-6-16-17(8-14)26-11-25-16/h2-8,10H,9,11H2,1H3,(H,21,22,24)