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

Systemtic Name: 2-[[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]carbonylphenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[4-(m-tolylmethyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(3-methylbenzyl)piperazine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H27N3O3/c1-20-5-4-6-22(17-20)18-29-13-15-30(16-14-29)26(32)23-11-9-21(10-12-23)19-31-27(33)24-7-2-3-8-25(24)28(31)34/h2-12,17H,13-16,18-19H2,1H3