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

Systemtic Name: 4-(4-butanoylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione Openeye Name: 4-(4-butanoylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(1,5-dimethyl-4-pyrazolyl)methyl]-4-[4-(1-oxobutyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 4-(4-butanoylpiperazin-1-yl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindole-1,3-dione Traditional Name: 4-(4-butyrylpiperazino)-2-[(1,5-dimethylpyrazol-4-yl)methyl]isoindoline-1,3-quinone Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=C(N(N=C4)C)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=C(N(N=C4)C)C

InChI

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