5-methyl-2-[4-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 5-methyl-2-[4-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 5-methyl-2-[4-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 5-methyl-2-[4-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 5-methyl-2-[4-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]butyl]-5-methyl-isoindoline-1,3-quinone Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CCCN(CC3)CC4=CC=CC=C4C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CCCN(CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C26H31N3O3/c1-19-10-11-22-23(17-19)26(32)29(25(22)31)14-5-9-24(30)28-13-6-12-27(15-16-28)18-21-8-4-3-7-20(21)2/h3-4,7-8,10-11,17H,5-6,9,12-16,18H2,1-2H3