3-methoxy-4-[1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]benzenecarbonitrile

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(CCN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(CCN2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

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