1-[3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-2-pyrazolin-1-yl]ethanone Formula: C18H15BrN2O3 MolecularWeight: 387.2273

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H15BrN2O3/c1-11(22)21-16(13-4-7-17-18(8-13)24-10-23-17)9-15(20-21)12-2-5-14(19)6-3-12/h2-8,16H,9-10H2,1H3