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

Systemtic Name: 2-methyl-4-[1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperazino]hexyl]benzonitrile Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C27H33N5O/c1-3-4-6-11-25(23-12-13-24(19-28)21(2)18-23)32-16-14-31(15-17-32)20-26-29-27(33-30-26)22-9-7-5-8-10-22/h5,7-10,12-13,18,25H,3-4,6,11,14-17,20H2,1-2H3