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

Systemtic Name: 2-[4-[(2-butyl-4,6-dimethyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-butyl-4,6-dimethyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-butyl-4,6-dimethyl-1-pyrrolo[2,3-b]pyridinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-butyl-4,6-dimethylpyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-butyl-4,6-dimethyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile Formula: C27H27N3 MolecularWeight: 393.52338

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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=C2C)C

Isomeric SMILES

CCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)N=C(C=C2C)C

InChI

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