3-[1-(2-methoxyphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 3-[1-(2-methoxyphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 3-[3-(4-benzylpiperazin-1-yl)-1-(2-methoxyphenyl)propoxy]benzonitrile CAS Name: 3-[1-(2-methoxyphenyl)-3-[4-(phenylmethyl)-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 3-[3-(4-benzylpiperazin-1-yl)-1-(2-methoxyphenyl)propoxy]benzonitrile Traditional Name: 3-[3-(4-benzylpiperazino)-1-(2-methoxyphenyl)propoxy]benzonitrile Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CCN2CCN(CC2)CC3=CC=CC=C3)OC4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC=CC=C1C(CCN2CCN(CC2)CC3=CC=CC=C3)OC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H31N3O2/c1-32-27-13-6-5-12-26(27)28(33-25-11-7-10-24(20-25)21-29)14-15-30-16-18-31(19-17-30)22-23-8-3-2-4-9-23/h2-13,20,28H,14-19,22H2,1H3