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

Systemtic Name: 3-[5-(4-bromophenyl)carbonyl-2-propanoyl-3,4-dihydropyrazol-4-yl]chromen-4-one Openeye Name: 3-[5-(4-bromobenzoyl)-2-propanoyl-3,4-dihydropyrazol-4-yl]chromen-4-one CAS Name: 3-[5-[(4-bromophenyl)-oxomethyl]-2-(1-oxopropyl)-3,4-dihydropyrazol-4-yl]-1-benzopyran-4-one IUPAC Name: 3-[5-(4-bromobenzoyl)-2-propanoyl-3,4-dihydropyrazol-4-yl]chromen-4-one Traditional Name: 3-[3-(4-bromobenzoyl)-1-propionyl-2-pyrazolin-4-yl]chromone Formula: C22H17BrN2O4 MolecularWeight: 453.28538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2O4/c1-2-19(26)25-11-16(17-12-29-18-6-4-3-5-15(18)22(17)28)20(24-25)21(27)13-7-9-14(23)10-8-13/h3-10,12,16H,2,11H2,1H3