2-methyl-4-[1-[4-[(2-oxidanylidene-3-phenyl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-[4-[(2-oxidanylidene-3-phenyl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-[(2-oxo-3-phenyl-oxazolidin-5-yl)methyl]piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-[(2-oxo-3-phenyl-5-oxazolidinyl)methyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]hexyl]benzonitrile Traditional Name: 4-[1-[4-[(2-keto-3-phenyl-oxazolidin-5-yl)methyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C28H36N4O2 MolecularWeight: 460.61104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC3CN(C(=O)O3)C4=CC=CC=C4

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC3CN(C(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C28H36N4O2/c1-3-4-6-11-27(23-12-13-24(19-29)22(2)18-23)31-16-14-30(15-17-31)20-26-21-32(28(33)34-26)25-9-7-5-8-10-25/h5,7-10,12-13,18,26-27H,3-4,6,11,14-17,20-21H2,1-2H3