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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CC(COC2=CC=CC=C2)O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1)C(CC(COC2=CC=CC=C2)O)C3=CC=C(C=C3)C#N

InChI

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