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

Systemtic Name: 3-[(3S)-2-ethanoyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazol-5-yl]chromen-2-one Openeye Name: 3-[(3S)-2-acetyl-3-(4-isopropylphenyl)-3,4-dihydropyrazol-5-yl]chromen-2-one CAS Name: 3-[(3S)-2-acetyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazol-5-yl]-1-benzopyran-2-one IUPAC Name: 3-[(3S)-2-acetyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazol-5-yl]chromen-2-one Traditional Name: 3-[(5S)-1-acetyl-5-p-cumenyl-2-pyrazolin-3-yl]coumarin Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3/c1-14(2)16-8-10-17(11-9-16)21-13-20(24-25(21)15(3)26)19-12-18-6-4-5-7-22(18)28-23(19)27/h4-12,14,21H,13H2,1-3H3/t21-/m0/s1