3-[5-(4-bromophenyl)carbonyl-2-ethanoyl-3,4-dihydropyrazol-4-yl]chromen-4-one

Systemtic Name: 3-[5-(4-bromophenyl)carbonyl-2-ethanoyl-3,4-dihydropyrazol-4-yl]chromen-4-one Openeye Name: 3-[2-acetyl-5-(4-bromobenzoyl)-3,4-dihydropyrazol-4-yl]chromen-4-one CAS Name: 3-[2-acetyl-5-[(4-bromophenyl)-oxomethyl]-3,4-dihydropyrazol-4-yl]-1-benzopyran-4-one IUPAC Name: 3-[2-acetyl-5-(4-bromobenzoyl)-3,4-dihydropyrazol-4-yl]chromen-4-one Traditional Name: 3-[1-acetyl-3-(4-bromobenzoyl)-2-pyrazolin-4-yl]chromone Formula: C21H15BrN2O4 MolecularWeight: 439.2588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(C(=N1)C(=O)C2=CC=C(C=C2)Br)C3=COC4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)N1CC(C(=N1)C(=O)C2=CC=C(C=C2)Br)C3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H15BrN2O4/c1-12(25)24-10-16(17-11-28-18-5-3-2-4-15(18)21(17)27)19(23-24)20(26)13-6-8-14(22)9-7-13/h2-9,11,16H,10H2,1H3