2-[3-(2-adamantylamino)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-(2-adamantylamino)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(2-adamantylamino)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(2-adamantylamino)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(2-adamantylamino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(2-adamantylamino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)CCN4C(=CC=N4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)CCN4C(=CC=N4)C(=O)O

InChI

InChI=1S/C17H23N3O3/c21-15(2-4-20-14(17(22)23)1-3-18-20)19-16-12-6-10-5-11(8-12)9-13(16)7-10/h1,3,10-13,16H,2,4-9H2,(H,19,21)(H,22,23)