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

Systemtic Name: 2-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazino]methyl]isoindoline-1,3-quinone Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H27N5O2/c1-18-23(19(2)30(26-18)20-8-4-3-5-9-20)16-27-12-14-28(15-13-27)17-29-24(31)21-10-6-7-11-22(21)25(29)32/h3-11H,12-17H2,1-2H3