2-[2-(3-methoxyphenyl)ethyl]-4-[4-(2-pyrazol-1-ylphenyl)carbonylpiperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-(3-methoxyphenyl)ethyl]-4-[4-(2-pyrazol-1-ylphenyl)carbonylpiperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-[2-(3-methoxyphenyl)ethyl]-4-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-[2-(3-methoxyphenyl)ethyl]-4-[4-[oxo-[2-(1-pyrazolyl)phenyl]methyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[2-(3-methoxyphenyl)ethyl]-4-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-[2-(3-methoxyphenyl)ethyl]-4-[4-(2-pyrazol-1-ylbenzoyl)piperazino]isoindoline-1,3-quinone Formula: C31H29N5O4 MolecularWeight: 535.59306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5N6C=CC=N6

Isomeric SMILES

COC1=CC=CC(=C1)CCN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5N6C=CC=N6

InChI

InChI=1S/C31H29N5O4/c1-40-23-8-4-7-22(21-23)13-16-35-30(38)25-10-5-12-27(28(25)31(35)39)33-17-19-34(20-18-33)29(37)24-9-2-3-11-26(24)36-15-6-14-32-36/h2-12,14-15,21H,13,16-20H2,1H3