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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

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