3-(1,3-benzodioxol-5-yl)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(4-bromobenzyl)pyrazol-3-yl]propionamide Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H18BrN3O3/c21-16-5-1-15(2-6-16)12-24-19(9-10-22-24)23-20(25)8-4-14-3-7-17-18(11-14)27-13-26-17/h1-3,5-7,9-11H,4,8,12-13H2,(H,23,25)