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

Systemtic Name: 2-[3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]carbonylphenyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(o-tolylmethyl)piperazine-1-carbonyl]phenyl]isoindoline-1,3-dione CAS Name: 2-[3-[[4-[(2-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(2-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=C1CN2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

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