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

Systemtic Name: 3-[(3S)-2-ethanoyl-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]chromen-2-one Openeye Name: 3-[(3S)-2-acetyl-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]chromen-2-one CAS Name: 3-[(3S)-2-acetyl-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-1-benzopyran-2-one IUPAC Name: 3-[(3S)-2-acetyl-3-(3-methoxyphenyl)-3,4-dihydropyrazol-5-yl]chromen-2-one Traditional Name: 3-[(5S)-1-acetyl-5-(3-methoxyphenyl)-2-pyrazolin-3-yl]coumarin Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC3=CC=CC=C3OC2=O)C4=CC(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4/c1-13(24)23-19(14-7-5-8-16(10-14)26-2)12-18(22-23)17-11-15-6-3-4-9-20(15)27-21(17)25/h3-11,19H,12H2,1-2H3/t19-/m0/s1