2-[3-[1-(dipentylamino)propan-2-ylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[1-(dipentylamino)propan-2-ylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[[2-(dipentylamino)-1-methyl-ethyl]amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[1-(dipentylamino)propan-2-ylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[1-(dipentylamino)propan-2-ylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[[2-(diamylamino)-1-methyl-ethyl]amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C20H36N4O3 MolecularWeight: 380.52484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)CC(C)NC(=O)CCN1C(=CC=N1)C(=O)O

Isomeric SMILES

CCCCCN(CCCCC)CC(C)NC(=O)CCN1C(=CC=N1)C(=O)O

InChI

InChI=1S/C20H36N4O3/c1-4-6-8-13-23(14-9-7-5-2)16-17(3)22-19(25)11-15-24-18(20(26)27)10-12-21-24/h10,12,17H,4-9,11,13-16H2,1-3H3,(H,22,25)(H,26,27)