2-[4-[(2-butyl-6-methyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2-butyl-6-methyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-butyl-6-methyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-butyl-6-methyl-1-pyrrolo[2,3-b]pyridinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-butyl-6-methylpyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-butyl-6-methyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile Formula: C26H25N3 MolecularWeight: 379.4968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)N=C(C=C2)C

Isomeric SMILES

CCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)N=C(C=C2)C

InChI

InChI=1S/C26H25N3/c1-3-4-8-24-16-22-13-10-19(2)28-26(22)29(24)18-20-11-14-21(15-12-20)25-9-6-5-7-23(25)17-27/h5-7,9-16H,3-4,8,18H2,1-2H3