2-[4-[(2-butyl-6-methyl-7-oxidanylidene-4,5-dihydropyrrolo[2,3-c]pyridin-1-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2-butyl-6-methyl-7-oxidanylidene-4,5-dihydropyrrolo[2,3-c]pyridin-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-butyl-6-methyl-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridin-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-butyl-6-methyl-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridin-1-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-butyl-6-methyl-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridin-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-butyl-7-keto-6-methyl-4,5-dihydropyrrolo[2,3-c]pyridin-1-yl)methyl]phenyl]benzonitrile Formula: C26H27N3O MolecularWeight: 397.51208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O/c1-3-4-8-23-16-21-14-15-28(2)26(30)25(21)29(23)18-19-10-12-20(13-11-19)24-9-6-5-7-22(24)17-27/h5-7,9-13,16H,3-4,8,14-15,18H2,1-2H3