3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-piperidin-4-yl-1-propan-2-yl-piperazine-2,5-dione hydrochloride

Systemtic Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-piperidin-4-yl-1-propan-2-yl-piperazine-2,5-dione hydrochloride Openeye Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-isopropyl-3-(4-piperidyl)piperazine-2,5-dione hydrochloride CAS Name: 3-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-(4-piperidinyl)-1-propan-2-ylpiperazine-2,5-dione hydrochloride IUPAC Name: 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-yl-1-propan-2-ylpiperazine-2,5-dione hydrochloride Traditional Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-isopropyl-3-(4-piperidyl)piperazine-2,5-quinone hydrochloride Formula: C24H34ClN5O2 MolecularWeight: 460.01206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC3(C(=O)N(CC(=O)N3)C(C)C)C4CCNCC4.Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC3(C(=O)N(CC(=O)N3)C(C)C)C4CCNCC4.Cl

InChI

InChI=1S/C24H33N5O2.ClH/c1-16(2)28-15-22(30)26-24(23(28)31,19-10-12-25-13-11-19)14-21-17(3)27-29(18(21)4)20-8-6-5-7-9-20;/h5-9,16,19,25H,10-15H2,1-4H3,(H,26,30);1H