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

Systemtic Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-piperidin-4-yl-piperazine-2,5-dione hydrochloride Openeye Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-(4-piperidyl)piperazine-2,5-dione hydrochloride CAS Name: 3-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-(4-piperidinyl)piperazine-2,5-dione hydrochloride IUPAC Name: 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-ylpiperazine-2,5-dione hydrochloride Traditional Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-(4-piperidyl)piperazine-2,5-quinone hydrochloride Formula: C21H28ClN5O2 MolecularWeight: 417.93232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC3C(=O)N(CC(=O)N3)C4CCNCC4.Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC3C(=O)N(CC(=O)N3)C4CCNCC4.Cl

InChI

InChI=1S/C21H27N5O2.ClH/c1-14-18(15(2)26(24-14)17-6-4-3-5-7-17)12-19-21(28)25(13-20(27)23-19)16-8-10-22-11-9-16;/h3-7,16,19,22H,8-13H2,1-2H3,(H,23,27);1H