4-[5-methyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-3-oxidanylidene-pyrazolidin-1-yl]benzoic acid

Systemtic Name: 4-[5-methyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-3-oxidanylidene-pyrazolidin-1-yl]benzoic acid Openeye Name: 4-[5-methyl-2-[3-[4-(4-methyl-2-pyridyl)piperazin-1-yl]propyl]-3-oxo-pyrazolidin-1-yl]benzoic acid CAS Name: 4-[5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)-1-piperazinyl]propyl]-3-oxo-1-pyrazolidinyl]benzoic acid IUPAC Name: 4-[5-methyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-3-oxopyrazolidin-1-yl]benzoic acid Traditional Name: 4-[3-keto-5-methyl-2-[3-[4-(4-methyl-2-pyridyl)piperazino]propyl]pyrazolidin-1-yl]benzoic acid Formula: C24H31N5O3 MolecularWeight: 437.53464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(N1C2=CC=C(C=C2)C(=O)O)CCCN3CCN(CC3)C4=NC=CC(=C4)C

Isomeric SMILES

CC1CC(=O)N(N1C2=CC=C(C=C2)C(=O)O)CCCN3CCN(CC3)C4=NC=CC(=C4)C

InChI

InChI=1S/C24H31N5O3/c1-18-8-9-25-22(16-18)27-14-12-26(13-15-27)10-3-11-28-23(30)17-19(2)29(28)21-6-4-20(5-7-21)24(31)32/h4-9,16,19H,3,10-15,17H2,1-2H3,(H,31,32)