4-[3-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[4-(4-chlorobenzoyl)piperazino]-2-hydroxy-propoxy]benzonitrile Formula: C21H22ClN3O3 MolecularWeight: 399.87068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)C#N)O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)C#N)O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O3/c22-18-5-3-17(4-6-18)21(27)25-11-9-24(10-12-25)14-19(26)15-28-20-7-1-16(13-23)2-8-20/h1-8,19,26H,9-12,14-15H2