2-[4-[(2-butyl-5-fluoranyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2-butyl-5-fluoranyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-butyl-5-fluoro-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-butyl-5-fluoro-1-pyrrolo[2,3-b]pyridinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-butyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-butyl-5-fluoro-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile Formula: C25H22FN3 MolecularWeight: 383.460683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=CN=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)F

Isomeric SMILES

CCCCC1=CC2=CC(=CN=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)F

InChI

InChI=1S/C25H22FN3/c1-2-3-7-23-14-21-13-22(26)16-28-25(21)29(23)17-18-9-11-19(12-10-18)24-8-5-4-6-20(24)15-27/h4-6,8-14,16H,2-3,7,17H2,1H3