4-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)propoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)propoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)propoxy]-3-methoxy-benzonitrile CAS Name: 4-[3-[4-(4-fluorophenyl)-1-piperazinyl]-1-(3-methoxyphenyl)propoxy]-3-methoxybenzonitrile IUPAC Name: 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)propoxy]-3-methoxybenzonitrile Traditional Name: 4-[3-[4-(4-fluorophenyl)piperazino]-1-(3-methoxyphenyl)propoxy]-3-methoxy-benzonitrile Formula: C28H30FN3O3 MolecularWeight: 475.554503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CCN2CCN(CC2)C3=CC=C(C=C3)F)OC4=C(C=C(C=C4)C#N)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(CCN2CCN(CC2)C3=CC=C(C=C3)F)OC4=C(C=C(C=C4)C#N)OC

InChI

InChI=1S/C28H30FN3O3/c1-33-25-5-3-4-22(19-25)26(35-27-11-6-21(20-30)18-28(27)34-2)12-13-31-14-16-32(17-15-31)24-9-7-23(29)8-10-24/h3-11,18-19,26H,12-17H2,1-2H3