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

Systemtic Name: 2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropanoyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropanoyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-[(1,3-dimethyl-4-pyrazolyl)methyl]-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-(2-methylpropanoyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(4-isobutyrylpiperazino)isoindoline-1,3-quinone Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)C(C)C)C

Isomeric SMILES

CC1=NN(C=C1CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)C(C)C)C

InChI

InChI=1S/C22H27N5O3/c1-14(2)20(28)26-10-8-25(9-11-26)18-7-5-6-17-19(18)22(30)27(21(17)29)13-16-12-24(4)23-15(16)3/h5-7,12,14H,8-11,13H2,1-4H3