4-[[4-[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-butyl-1,3-dioxoisoindole-5-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-butyl-1,3-diketo-isoindoline-5-carbonyl)piperazino]methyl]benzonitrile Formula: C25H26N4O3 MolecularWeight: 430.49894

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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=C(C=C4)C#N

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H26N4O3/c1-2-3-10-29-24(31)21-9-8-20(15-22(21)25(29)32)23(30)28-13-11-27(12-14-28)17-19-6-4-18(16-26)5-7-19/h4-9,15H,2-3,10-14,17H2,1H3