2-(2-methylphenyl)-5-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]isoindole-1,3-dione

Systemtic Name: 2-(2-methylphenyl)-5-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]isoindole-1,3-dione Openeye Name: 5-(4-benzyl-1,4-diazepane-1-carbonyl)-2-(o-tolyl)isoindoline-1,3-dione CAS Name: 2-(2-methylphenyl)-5-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]isoindole-1,3-dione IUPAC Name: 5-(4-benzyl-1,4-diazepane-1-carbonyl)-2-(2-methylphenyl)isoindole-1,3-dione Traditional Name: 5-(4-benzyl-1,4-diazepane-1-carbonyl)-2-(o-tolyl)isoindoline-1,3-quinone Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCCN(CC4)CC5=CC=CC=C5

InChI

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