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

Systemtic Name: 3-[(3S)-3-(4-bromophenyl)-2-ethanoyl-3,4-dihydropyrazol-5-yl]chromen-2-one Openeye Name: 3-[(3S)-2-acetyl-3-(4-bromophenyl)-3,4-dihydropyrazol-5-yl]chromen-2-one CAS Name: 3-[(3S)-2-acetyl-3-(4-bromophenyl)-3,4-dihydropyrazol-5-yl]-1-benzopyran-2-one IUPAC Name: 3-[(3S)-2-acetyl-3-(4-bromophenyl)-3,4-dihydropyrazol-5-yl]chromen-2-one Traditional Name: 3-[(5S)-1-acetyl-5-(4-bromophenyl)-2-pyrazolin-3-yl]coumarin Formula: C20H15BrN2O3 MolecularWeight: 411.2487

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC3=CC=CC=C3OC2=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(=O)N1[C@@H](CC(=N1)C2=CC3=CC=CC=C3OC2=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H15BrN2O3/c1-12(24)23-18(13-6-8-15(21)9-7-13)11-17(22-23)16-10-14-4-2-3-5-19(14)26-20(16)25/h2-10,18H,11H2,1H3/t18-/m0/s1