2-[3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonylphenyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonylphenyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(m-tolylmethyl)piperazine-1-carbonyl]phenyl]isoindoline-1,3-dione CAS Name: 2-[3-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(3-methylbenzyl)piperazine-1-carbonyl]phenyl]isoindoline-1,3-quinone Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H25N3O3/c1-19-6-4-7-20(16-19)18-28-12-14-29(15-13-28)25(31)21-8-5-9-22(17-21)30-26(32)23-10-2-3-11-24(23)27(30)33/h2-11,16-17H,12-15,18H2,1H3