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

Systemtic Name: 4-[[4-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-chloro-4-ethoxy-5-methoxy-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-chloro-4-ethoxy-5-methoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-chloro-4-ethoxy-5-methoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-chloro-4-ethoxy-5-methoxy-benzoyl)piperazino]methyl]benzonitrile Formula: C22H24ClN3O3 MolecularWeight: 413.89726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C22H24ClN3O3/c1-3-29-21-19(23)12-18(13-20(21)28-2)22(27)26-10-8-25(9-11-26)15-17-6-4-16(14-24)5-7-17/h4-7,12-13H,3,8-11,15H2,1-2H3