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

Systemtic Name: 3-[(3S)-3-(4-chlorophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]chromen-2-one Openeye Name: 3-[(3S)-3-(4-chlorophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]chromen-2-one CAS Name: 3-[(3S)-3-(4-chlorophenyl)-2-(1-oxopropyl)-3,4-dihydropyrazol-5-yl]-1-benzopyran-2-one IUPAC Name: 3-[(3S)-3-(4-chlorophenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]chromen-2-one Traditional Name: 3-[(5S)-5-(4-chlorophenyl)-1-propionyl-2-pyrazolin-3-yl]coumarin Formula: C21H17ClN2O3 MolecularWeight: 380.82428

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O3/c1-2-20(25)24-18(13-7-9-15(22)10-8-13)12-17(23-24)16-11-14-5-3-4-6-19(14)27-21(16)26/h3-11,18H,2,12H2,1H3/t18-/m0/s1