2-[3-(1-adamantylamino)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-(1-adamantylamino)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(1-adamantylamino)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(1-adamantylamino)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(1-adamantylamino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(1-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)(C3)NC(=O)CCN4C(=CC=N4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CCN4C(=CC=N4)C(=O)O

InChI

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