2-cyclopropyl-4-(4-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-cyclopropyl-4-(4-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-cyclopropyl-4-(4-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]benzonitrile CAS Name: 2-cyclopropyl-4-(4-fluorophenyl)-6-[4-(2-methoxyphenyl)-1-piperazinyl]benzonitrile IUPAC Name: 2-cyclopropyl-4-(4-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]benzonitrile Traditional Name: 2-cyclopropyl-4-(4-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazino]benzonitrile Formula: C27H26FN3O MolecularWeight: 427.513243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=CC(=CC(=C3C#N)C4CC4)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=CC(=CC(=C3C#N)C4CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H26FN3O/c1-32-27-5-3-2-4-25(27)30-12-14-31(15-13-30)26-17-21(19-8-10-22(28)11-9-19)16-23(20-6-7-20)24(26)18-29/h2-5,8-11,16-17,20H,6-7,12-15H2,1H3