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

Systemtic Name: 2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-(2-thiophen-3-ylethanoyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-[2-(3-thienyl)acetyl]piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-[(1,3-dimethyl-4-pyrazolyl)methyl]-4-[4-[1-oxo-2-(3-thiophenyl)ethyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-[2-(3-thienyl)acetyl]piperazino]isoindoline-1,3-quinone Formula: C24H25N5O3S MolecularWeight: 463.552

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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)CC5=CSC=C5)C

Isomeric SMILES

CC1=NN(C=C1CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)CC5=CSC=C5)C

InChI

InChI=1S/C24H25N5O3S/c1-16-18(13-26(2)25-16)14-29-23(31)19-4-3-5-20(22(19)24(29)32)27-7-9-28(10-8-27)21(30)12-17-6-11-33-15-17/h3-6,11,13,15H,7-10,12,14H2,1-2H3