2-[4-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-benzylpiperazino)methyl]phenyl]benzonitrile Formula: C25H25N3 MolecularWeight: 367.4861

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H25N3/c26-18-24-8-4-5-9-25(24)23-12-10-22(11-13-23)20-28-16-14-27(15-17-28)19-21-6-2-1-3-7-21/h1-13H,14-17,19-20H2