2-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[4-(phenylmethyl)piperazin-1-yl]isoindole-1,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=NN1C)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

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