(3S)-3,4-dimethyl-7-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]-2,3-dihydroinden-1-one

Systemtic Name: (3S)-3,4-dimethyl-7-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]-2,3-dihydroinden-1-one Openeye Name: (3S)-3,4-dimethyl-7-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]indan-1-one CAS Name: (3S)-3,4-dimethyl-7-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]-2,3-dihydroinden-1-one IUPAC Name: (3S)-3,4-dimethyl-7-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]-2,3-dihydroinden-1-one Traditional Name: (3S)-7-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethoxy]-3,4-dimethyl-indan-1-one Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CC(=O)C2=C(C=CC(=C12)C)OCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3/c1-14-8-9-19(22-18(25)12-15(2)21(14)22)27-13-20(26)24-11-10-17(23-24)16-6-4-3-5-7-16/h3-9,15H,10-13H2,1-2H3/t15-/m0/s1