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

Systemtic Name: 2-[4-[(2-butyl-6-chloranyl-4-methyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-butyl-6-chloro-4-methyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-butyl-6-chloro-4-methyl-1-pyrrolo[2,3-b]pyridinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-butyl-6-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-butyl-6-chloro-4-methyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzonitrile Formula: C26H24ClN3 MolecularWeight: 413.94186

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClN3/c1-3-4-8-22-15-24-18(2)14-25(27)29-26(24)30(22)17-19-10-12-20(13-11-19)23-9-6-5-7-21(23)16-28/h5-7,9-15H,3-4,8,17H2,1-2H3