3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazole Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-1-phenyl-2-pyrazoline Formula: C22H17BrN2O2 MolecularWeight: 421.28658

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C(N(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H17BrN2O2/c23-17-9-6-15(7-10-17)19-13-20(25(24-19)18-4-2-1-3-5-18)16-8-11-21-22(12-16)27-14-26-21/h1-12,20H,13-14H2