4-[[2-(2-methylpropyl)-4-[4-(2-methylpropyl)piperazin-1-yl]carbonyl-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(2-methylpropyl)-4-[4-(2-methylpropyl)piperazin-1-yl]carbonyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[2-isobutyl-4-(4-isobutylpiperazine-1-carbonyl)phenoxy]methyl]benzonitrile CAS Name: 4-[[2-(2-methylpropyl)-4-[[4-(2-methylpropyl)-1-piperazinyl]-oxomethyl]phenoxy]methyl]benzonitrile IUPAC Name: 4-[[2-(2-methylpropyl)-4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]methyl]benzonitrile Traditional Name: 4-[[2-isobutyl-4-(4-isobutylpiperazine-1-carbonyl)phenoxy]methyl]benzonitrile Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC(C)C)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC(C)C)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H35N3O2/c1-20(2)15-25-16-24(27(31)30-13-11-29(12-14-30)18-21(3)4)9-10-26(25)32-19-23-7-5-22(17-28)6-8-23/h5-10,16,20-21H,11-15,18-19H2,1-4H3