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

Systemtic Name: 3-[(3S)-2-propanoyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazol-5-yl]chromen-2-one Openeye Name: 3-[(3S)-3-(4-isopropylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]chromen-2-one CAS Name: 3-[(3S)-2-(1-oxopropyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazol-5-yl]-1-benzopyran-2-one IUPAC Name: 3-[(3S)-2-propanoyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazol-5-yl]chromen-2-one Traditional Name: 3-[(5S)-5-p-cumenyl-1-propionyl-2-pyrazolin-3-yl]coumarin Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3/c1-4-23(27)26-21(17-11-9-16(10-12-17)15(2)3)14-20(25-26)19-13-18-7-5-6-8-22(18)29-24(19)28/h5-13,15,21H,4,14H2,1-3H3/t21-/m0/s1