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

Systemtic Name: 3-[(3S)-2-ethanoyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]chromen-2-one Openeye Name: 3-[(3S)-2-acetyl-3-(p-tolyl)-3,4-dihydropyrazol-5-yl]chromen-2-one CAS Name: 3-[(3S)-2-acetyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]-1-benzopyran-2-one IUPAC Name: 3-[(3S)-2-acetyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]chromen-2-one Traditional Name: 3-[(5S)-1-acetyl-5-(p-tolyl)-2-pyrazolin-3-yl]coumarin Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)C)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2CC(=NN2C(=O)C)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H18N2O3/c1-13-7-9-15(10-8-13)19-12-18(22-23(19)14(2)24)17-11-16-5-3-4-6-20(16)26-21(17)25/h3-11,19H,12H2,1-2H3/t19-/m0/s1