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

Systemtic Name: 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenyl-propoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenyl-propoxy]-3-methoxy-benzonitrile CAS Name: 4-[3-[4-(4-fluorophenyl)-1-piperazinyl]-1-phenylpropoxy]-3-methoxybenzonitrile IUPAC Name: 4-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpropoxy]-3-methoxybenzonitrile Traditional Name: 4-[3-[4-(4-fluorophenyl)piperazino]-1-phenyl-propoxy]-3-methoxy-benzonitrile Formula: C27H28FN3O2 MolecularWeight: 445.528523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28FN3O2/c1-32-27-19-21(20-29)7-12-26(27)33-25(22-5-3-2-4-6-22)13-14-30-15-17-31(18-16-30)24-10-8-23(28)9-11-24/h2-12,19,25H,13-18H2,1H3