2-(4-cyclohexylpiperazin-1-yl)-2-[4-(2-methoxyphenoxy)phenyl]ethanenitrile

Systemtic Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(2-methoxyphenoxy)phenyl]ethanenitrile Openeye Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(2-methoxyphenoxy)phenyl]acetonitrile CAS Name: 2-(4-cyclohexyl-1-piperazinyl)-2-[4-(2-methoxyphenoxy)phenyl]acetonitrile IUPAC Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(2-methoxyphenoxy)phenyl]acetonitrile Traditional Name: 2-(4-cyclohexylpiperazino)-2-[4-(2-methoxyphenoxy)phenyl]acetonitrile Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=CC=C(C=C2)C(C#N)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1OC2=CC=C(C=C2)C(C#N)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C25H31N3O2/c1-29-24-9-5-6-10-25(24)30-22-13-11-20(12-14-22)23(19-26)28-17-15-27(16-18-28)21-7-3-2-4-8-21/h5-6,9-14,21,23H,2-4,7-8,15-18H2,1H3