[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H19N3O4/c1-13(2)14-7-9-15(10-8-14)20-24-19(29-25-20)12-28-22(27)18-11-16-5-3-4-6-17(16)21(26)23-18/h3-11,13H,12H2,1-2H3,(H,23,26)