2-[4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperazin-1-yl]benzonitrile CAS Name: 2-[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-1-yl]benzonitrile Traditional Name: 2-[4-(4-benzoxy-3-methoxy-benzyl)piperazino]benzonitrile Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=C3C#N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=C3C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2/c1-30-26-17-22(11-12-25(26)31-20-21-7-3-2-4-8-21)19-28-13-15-29(16-14-28)24-10-6-5-9-23(24)18-27/h2-12,17H,13-16,19-20H2,1H3