3-[2-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]quinolin-8-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]quinolin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-quinolyl]benzonitrile CAS Name: 3-[2-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]-8-quinolinyl]benzonitrile IUPAC Name: 3-[2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]quinolin-8-yl]benzonitrile Traditional Name: 3-[2-[4-[2-(4-fluorophenoxy)ethyl]piperazino]-8-quinolyl]benzonitrile Formula: C28H25FN4O MolecularWeight: 452.522703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=C(C=C2)F)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

Isomeric SMILES

C1CN(CCN1CCOC2=CC=C(C=C2)F)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

InChI

InChI=1S/C28H25FN4O/c29-24-8-10-25(11-9-24)34-18-17-32-13-15-33(16-14-32)27-12-7-22-4-2-6-26(28(22)31-27)23-5-1-3-21(19-23)20-30/h1-12,19H,13-18H2