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

Systemtic Name: 3-[(3S)-3-(4-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]chromen-2-one Openeye Name: 3-[(3S)-2-propanoyl-3-(p-tolyl)-3,4-dihydropyrazol-5-yl]chromen-2-one CAS Name: 3-[(3S)-3-(4-methylphenyl)-2-(1-oxopropyl)-3,4-dihydropyrazol-5-yl]-1-benzopyran-2-one IUPAC Name: 3-[(3S)-3-(4-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]chromen-2-one Traditional Name: 3-[(5S)-1-propionyl-5-(p-tolyl)-2-pyrazolin-3-yl]coumarin Formula: C22H20N2O3 MolecularWeight: 360.4058

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3/c1-3-21(25)24-19(15-10-8-14(2)9-11-15)13-18(23-24)17-12-16-6-4-5-7-20(16)27-22(17)26/h4-12,19H,3,13H2,1-2H3/t19-/m0/s1