4-[[2-(4-chlorophenyl)phenyl]methyl]-2-ethoxy-3-piperazin-1-yl-benzenecarbonitrile

Systemtic Name: 4-[[2-(4-chlorophenyl)phenyl]methyl]-2-ethoxy-3-piperazin-1-yl-benzenecarbonitrile Openeye Name: 4-[[2-(4-chlorophenyl)phenyl]methyl]-2-ethoxy-3-piperazin-1-yl-benzonitrile CAS Name: 4-[[2-(4-chlorophenyl)phenyl]methyl]-2-ethoxy-3-(1-piperazinyl)benzonitrile IUPAC Name: 4-[[2-(4-chlorophenyl)phenyl]methyl]-2-ethoxy-3-piperazin-1-ylbenzonitrile Traditional Name: 4-[2-(4-chlorophenyl)benzyl]-2-ethoxy-3-piperazino-benzonitrile Formula: C26H26ClN3O MolecularWeight: 431.95714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1N2CCNCC2)CC3=CC=CC=C3C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CCOC1=C(C=CC(=C1N2CCNCC2)CC3=CC=CC=C3C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C26H26ClN3O/c1-2-31-26-22(18-28)8-7-21(25(26)30-15-13-29-14-16-30)17-20-5-3-4-6-24(20)19-9-11-23(27)12-10-19/h3-12,29H,2,13-17H2,1H3