2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-(4-methoxyphenyl)ethanenitrile

Systemtic Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-(4-methoxyphenyl)ethanenitrile Openeye Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-(4-methoxyphenyl)acetonitrile CAS Name: 2-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl]-2-(4-methoxyphenyl)acetonitrile IUPAC Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-(4-methoxyphenyl)acetonitrile Traditional Name: 2-[3-[4-(4-fluorophenyl)piperazino]quinoxalin-2-yl]-2-(4-methoxyphenyl)acetonitrile Formula: C27H24FN5O MolecularWeight: 453.510763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=C(C=C1)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H24FN5O/c1-34-22-12-6-19(7-13-22)23(18-29)26-27(31-25-5-3-2-4-24(25)30-26)33-16-14-32(15-17-33)21-10-8-20(28)9-11-21/h2-13,23H,14-17H2,1H3