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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C1=CC=CC=C1Br)NC(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4

InChI

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