4-[[4-[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-[(2-chlorophenyl)methoxy]-3-methoxy-benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(2-chlorobenzyl)oxy-3-methoxy-benzoyl]piperazino]methyl]benzonitrile Formula: C27H26ClN3O3 MolecularWeight: 475.96664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OCC4=CC=CC=C4Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C27H26ClN3O3/c1-33-26-16-22(10-11-25(26)34-19-23-4-2-3-5-24(23)28)27(32)31-14-12-30(13-15-31)18-21-8-6-20(17-29)7-9-21/h2-11,16H,12-15,18-19H2,1H3