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

Systemtic Name: 4-[[4-[2-cyclohexyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-cyclohexyl-1,3-dioxo-isoindoline-5-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-cyclohexyl-1,3-dioxo-5-isoindolyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-cyclohexyl-1,3-diketo-isoindoline-5-carbonyl)piperazino]methyl]benzonitrile Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H28N4O3/c28-17-19-6-8-20(9-7-19)18-29-12-14-30(15-13-29)25(32)21-10-11-23-24(16-21)27(34)31(26(23)33)22-4-2-1-3-5-22/h6-11,16,22H,1-5,12-15,18H2