[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 1H-indazole-3-carboxylate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 1H-indazole-3-carboxylate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=NNC5=CC=CC=C54

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=NNC5=CC=CC=C54

InChI

InChI=1S/C21H25N3O3/c1-12(27-20(26)18-16-4-2-3-5-17(16)23-24-18)19(25)22-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,12-15H,6-11H2,1H3,(H,22,25)(H,23,24)/t12-,13?,14?,15?,21?/m1/s1