2-[3-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C18H26N6O3 MolecularWeight: 374.43744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C18H26N6O3/c1-3-23-13-15(14(2)20-23)12-21-8-10-22(11-9-21)17(25)5-7-24-16(18(26)27)4-6-19-24/h4,6,13H,3,5,7-12H2,1-2H3,(H,26,27)