[4-(1-adamantylmethylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl ethaneperoxoate

Systemtic Name: [4-(1-adamantylmethylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl ethaneperoxoate Openeye Name: [4-(1-adamantylmethylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl peroxyacetate CAS Name: ethaneperoxoic acid [4-[(1-adamantylmethylamino)-oxomethyl]-2-pyrazolo[1,5-a]pyridinyl]methyl ester IUPAC Name: [4-(1-adamantylmethylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl ethaneperoxoate Traditional Name: peracetic acid [4-(1-adamantylmethylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OOCC1=NN2C=CC=C(C2=C1)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)OOCC1=NN2C=CC=C(C2=C1)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O4/c1-14(26)29-28-12-18-8-20-19(3-2-4-25(20)24-18)21(27)23-13-22-9-15-5-16(10-22)7-17(6-15)11-22/h2-4,8,15-17H,5-7,9-13H2,1H3,(H,23,27)