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

Systemtic Name: 2-[3-(1-adamantylmethylamino)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(1-adamantylmethylamino)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(1-adamantylmethylamino)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(1-adamantylmethylamino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(1-adamantylmethylamino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3/c22-16(2-4-21-15(17(23)24)1-3-20-21)19-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1,3,12-14H,2,4-11H2,(H,19,22)(H,23,24)