2-methyl-4-[1-[4-[(6-phenylpyridin-3-yl)methyl]piperazin-1-yl]hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-[4-[(6-phenylpyridin-3-yl)methyl]piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-[(6-phenyl-3-pyridyl)methyl]piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-[(6-phenyl-3-pyridinyl)methyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-[(6-phenylpyridin-3-yl)methyl]piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-[(6-phenyl-3-pyridyl)methyl]piperazino]hexyl]benzonitrile Formula: C30H36N4 MolecularWeight: 452.63364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC3=CN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CC3=CN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H36N4/c1-3-4-6-11-30(27-13-14-28(21-31)24(2)20-27)34-18-16-33(17-19-34)23-25-12-15-29(32-22-25)26-9-7-5-8-10-26/h5,7-10,12-15,20,22,30H,3-4,6,11,16-19,23H2,1-2H3