2-[4-[(2-hexylpyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2-hexylpyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-hexylpyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-hexyl-1-pyrrolo[2,3-b]pyridinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-hexylpyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-hexylpyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile Formula: C27H27N3 MolecularWeight: 393.52338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)N=CC=C2

Isomeric SMILES

CCCCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)N=CC=C2

InChI

InChI=1S/C27H27N3/c1-2-3-4-5-11-25-18-23-10-8-17-29-27(23)30(25)20-21-13-15-22(16-14-21)26-12-7-6-9-24(26)19-28/h6-10,12-18H,2-5,11,20H2,1H3