4-[4-(3-oxidanyl-4-phenoxy-butyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(3-oxidanyl-4-phenoxy-butyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(3-hydroxy-4-phenoxy-butyl)piperazin-1-yl]benzonitrile CAS Name: 4-[4-(3-hydroxy-4-phenoxybutyl)-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(3-hydroxy-4-phenoxybutyl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-(3-hydroxy-4-phenoxy-butyl)piperazino]benzonitrile Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(COC2=CC=CC=C2)O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1CCC(COC2=CC=CC=C2)O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H25N3O2/c22-16-18-6-8-19(9-7-18)24-14-12-23(13-15-24)11-10-20(25)17-26-21-4-2-1-3-5-21/h1-9,20,25H,10-15,17H2