4-[1-[4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[2-[4-(1-imidazolyl)phenoxy]ethyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(4-imidazol-1-ylphenoxy)ethyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C29H37N5O MolecularWeight: 471.63698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C29H37N5O/c1-3-4-5-6-29(25-7-8-26(22-30)24(2)21-25)33-17-15-32(16-18-33)19-20-35-28-11-9-27(10-12-28)34-14-13-31-23-34/h7-14,21,23,29H,3-6,15-20H2,1-2H3