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

Systemtic Name: 2-[4-[(2-hexyl-7-oxidanylidene-5,6-dihydro-4H-pyrrolo[2,3-c]pyridin-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-hexyl-7-oxo-5,6-dihydro-4H-pyrrolo[2,3-c]pyridin-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-hexyl-7-oxo-5,6-dihydro-4H-pyrrolo[2,3-c]pyridin-1-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-hexyl-7-oxo-5,6-dihydro-4H-pyrrolo[2,3-c]pyridin-1-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-hexyl-7-keto-5,6-dihydro-4H-pyrrolo[2,3-c]pyridin-1-yl)methyl]phenyl]benzonitrile Formula: C27H29N3O MolecularWeight: 411.53866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)NCC2

Isomeric SMILES

CCCCCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)NCC2

InChI

InChI=1S/C27H29N3O/c1-2-3-4-5-9-24-17-22-15-16-29-27(31)26(22)30(24)19-20-11-13-21(14-12-20)25-10-7-6-8-23(25)18-28/h6-8,10-14,17H,2-5,9,15-16,19H2,1H3,(H,29,31)