4-[2-oxidanyl-4-(4-phenylpiperazin-1-yl)butoxy]benzenecarbonitrile

Systemtic Name: 4-[2-oxidanyl-4-(4-phenylpiperazin-1-yl)butoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-4-(4-phenylpiperazin-1-yl)butoxy]benzonitrile CAS Name: 4-[2-hydroxy-4-(4-phenyl-1-piperazinyl)butoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-4-(4-phenylpiperazin-1-yl)butoxy]benzonitrile Traditional Name: 4-[2-hydroxy-4-(4-phenylpiperazino)butoxy]benzonitrile Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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