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

Systemtic Name: 2-[3-[1-(1-adamantyl)propylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[1-(1-adamantyl)propylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[1-(1-adamantyl)propylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[1-(1-adamantyl)propylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[1-(1-adamantyl)propylamino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C(=CC=N4)C(=O)O

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C(=CC=N4)C(=O)O

InChI

InChI=1S/C20H29N3O3/c1-2-17(20-10-13-7-14(11-20)9-15(8-13)12-20)22-18(24)4-6-23-16(19(25)26)3-5-21-23/h3,5,13-15,17H,2,4,6-12H2,1H3,(H,22,24)(H,25,26)