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

Systemtic Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-3-piperidin-4-yl-piperazine-2,5-dione Openeye Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-3-(4-piperidyl)piperazine-2,5-dione CAS Name: 3-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-methyl-3-(4-piperidinyl)piperazine-2,5-dione IUPAC Name: 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methyl-3-piperidin-4-ylpiperazine-2,5-dione Traditional Name: 3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-3-(4-piperidyl)piperazine-2,5-quinone Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2/c1-15-19(16(2)27(25-15)18-7-5-4-6-8-18)13-22(17-9-11-23-12-10-17)21(29)26(3)14-20(28)24-22/h4-8,17,23H,9-14H2,1-3H3,(H,24,28)