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

Systemtic Name: 2-[4-[(2-butyl-4-methoxy-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-butyl-4-methoxy-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-butyl-4-methoxy-1-pyrrolo[2,3-b]pyridinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-butyl-4-methoxypyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-butyl-4-methoxy-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile Formula: C26H25N3O MolecularWeight: 395.4962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O/c1-3-4-8-22-16-24-25(30-2)14-15-28-26(24)29(22)18-19-10-12-20(13-11-19)23-9-6-5-7-21(23)17-27/h5-7,9-16H,3-4,8,18H2,1-2H3