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

Systemtic Name: 2-methyl-4-[1-[4-[(5-phenyl-2H-1,2,3-oxadiazol-3-yl)methyl]piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-[(5-phenyl-2H-oxadiazol-3-yl)methyl]piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-[(5-phenyl-2H-oxadiazol-3-yl)methyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-[(5-phenyl-2H-oxadiazol-3-yl)methyl]piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-[(5-phenyl-2H-oxadiazol-3-yl)methyl]piperazino]hexyl]benzonitrile Formula: C27H35N5O MolecularWeight: 445.5997

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CN3C=C(ON3)C4=CC=CC=C4

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CN3C=C(ON3)C4=CC=CC=C4

InChI

InChI=1S/C27H35N5O/c1-3-4-6-11-26(24-12-13-25(19-28)22(2)18-24)31-16-14-30(15-17-31)21-32-20-27(33-29-32)23-9-7-5-8-10-23/h5,7-10,12-13,18,20,26,29H,3-4,6,11,14-17,21H2,1-2H3