2-[4-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[3-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propoxy]phenyl]acetonitrile CAS Name: 2-[4-[3-[4-(diphenylmethyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]acetonitrile Traditional Name: 2-[4-[3-(4-benzhydrylpiperazino)-2-hydroxy-propoxy]phenyl]acetonitrile Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)CC#N)O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)CC#N)O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O2/c29-16-15-23-11-13-27(14-12-23)33-22-26(32)21-30-17-19-31(20-18-30)28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,26,28,32H,15,17-22H2