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

Systemtic Name: 2-[4-[(2-hexyl-6-methyl-7-oxidanylidene-4,5-dihydropyrrolo[2,3-c]pyridin-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-hexyl-6-methyl-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridin-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-hexyl-6-methyl-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridin-1-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-hexyl-6-methyl-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridin-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-hexyl-7-keto-6-methyl-4,5-dihydropyrrolo[2,3-c]pyridin-1-yl)methyl]phenyl]benzonitrile Formula: C28H31N3O MolecularWeight: 425.56524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)N(CC2)C

Isomeric SMILES

CCCCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)N(CC2)C

InChI

InChI=1S/C28H31N3O/c1-3-4-5-6-10-25-18-23-16-17-30(2)28(32)27(23)31(25)20-21-12-14-22(15-13-21)26-11-8-7-9-24(26)19-29/h7-9,11-15,18H,3-6,10,16-17,20H2,1-2H3