2-(4-butoxyphenyl)-2-[4-[(4-butoxyphenyl)-cyano-methyl]piperazin-1-yl]ethanenitrile

Systemtic Name: 2-(4-butoxyphenyl)-2-[4-[(4-butoxyphenyl)-cyano-methyl]piperazin-1-yl]ethanenitrile Openeye Name: 2-(4-butoxyphenyl)-2-[4-[(4-butoxyphenyl)-cyano-methyl]piperazin-1-yl]acetonitrile CAS Name: 2-(4-butoxyphenyl)-2-[4-[(4-butoxyphenyl)-cyanomethyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-(4-butoxyphenyl)-2-[4-[(4-butoxyphenyl)-cyanomethyl]piperazin-1-yl]acetonitrile Traditional Name: 2-(4-butoxyphenyl)-2-[4-[(4-butoxyphenyl)-cyano-methyl]piperazino]acetonitrile Formula: C28H36N4O2 MolecularWeight: 460.61104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C#N)N2CCN(CC2)C(C#N)C3=CC=C(C=C3)OCCCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(C#N)N2CCN(CC2)C(C#N)C3=CC=C(C=C3)OCCCC

InChI

InChI=1S/C28H36N4O2/c1-3-5-19-33-25-11-7-23(8-12-25)27(21-29)31-15-17-32(18-16-31)28(22-30)24-9-13-26(14-10-24)34-20-6-4-2/h7-14,27-28H,3-6,15-20H2,1-2H3