4-[[4-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-chloro-4-isobutoxy-5-methoxy-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-chloro-4-isobutoxy-5-methoxy-benzoyl)piperazino]methyl]benzonitrile Formula: C24H28ClN3O3 MolecularWeight: 441.95042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C24H28ClN3O3/c1-17(2)16-31-23-21(25)12-20(13-22(23)30-3)24(29)28-10-8-27(9-11-28)15-19-6-4-18(14-26)5-7-19/h4-7,12-13,17H,8-11,15-16H2,1-3H3