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

Systemtic Name: 1-[5-(3-bromophenyl)carbonyl-4-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[5-(3-bromobenzoyl)-4-(2-furyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[5-[(3-bromophenyl)-oxomethyl]-4-(2-furanyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[5-(3-bromobenzoyl)-4-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[3-(3-bromobenzoyl)-4-(2-furyl)-2-pyrazolin-1-yl]ethanone Formula: C16H13BrN2O3 MolecularWeight: 361.19002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(C(=N1)C(=O)C2=CC(=CC=C2)Br)C3=CC=CO3

Isomeric SMILES

CC(=O)N1CC(C(=N1)C(=O)C2=CC(=CC=C2)Br)C3=CC=CO3

InChI

InChI=1S/C16H13BrN2O3/c1-10(20)19-9-13(14-6-3-7-22-14)15(18-19)16(21)11-4-2-5-12(17)8-11/h2-8,13H,9H2,1H3