2-(3,4-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(3,4-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-(3,4-dimethylphenyl)-5-(4-phenylpiperazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 2-(3,4-dimethylphenyl)-5-[oxo-(4-phenyl-1-piperazinyl)methyl]isoindole-1,3-dione IUPAC Name: 2-(3,4-dimethylphenyl)-5-(4-phenylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 2-(3,4-dimethylphenyl)-5-(4-phenylpiperazine-1-carbonyl)isoindoline-1,3-quinone Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H25N3O3/c1-18-8-10-22(16-19(18)2)30-26(32)23-11-9-20(17-24(23)27(30)33)25(31)29-14-12-28(13-15-29)21-6-4-3-5-7-21/h3-11,16-17H,12-15H2,1-2H3