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

Systemtic Name: 2-butyl-5-[4-[(2-methylphenyl)methyl]piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-(o-tolylmethyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[[4-[(2-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-(2-methylbenzyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C25H29N3O3/c1-3-4-11-28-24(30)21-10-9-19(16-22(21)25(28)31)23(29)27-14-12-26(13-15-27)17-20-8-6-5-7-18(20)2/h5-10,16H,3-4,11-15,17H2,1-2H3