N-[1-(3-bromophenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide

Systemtic Name: N-[1-(3-bromophenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide Openeye Name: N-[1-(3-bromophenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide CAS Name: N-[1-(3-bromophenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide IUPAC Name: N-[1-(3-bromophenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide Traditional Name: N-[1-(3-bromophenyl)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide Formula: C20H18BrN3O3 MolecularWeight: 428.27922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Br)NC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C1=CC(=CC=C1)Br)NC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H18BrN3O3/c1-12(13-3-2-4-15(21)9-13)23-20(25)16-11-22-24-19(16)14-5-6-17-18(10-14)27-8-7-26-17/h2-6,9-12H,7-8H2,1H3,(H,22,24)(H,23,25)