4-[[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxyphenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-benzoyl]piperazino]methyl]benzonitrile Formula: C28H27Cl2N3O3 MolecularWeight: 524.43828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OCCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OCCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C28H27Cl2N3O3/c1-35-26-9-7-23(16-27(26)36-15-10-22-6-8-24(29)17-25(22)30)28(34)33-13-11-32(12-14-33)19-21-4-2-20(18-31)3-5-21/h2-9,16-17H,10-15,19H2,1H3