2-[4-[[6-butyl-3-(butylamino)-2-oxidanylidene-pyridin-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[6-butyl-3-(butylamino)-2-oxidanylidene-pyridin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[6-butyl-3-(butylamino)-2-oxo-1-pyridyl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[6-butyl-3-(butylamino)-2-oxo-1-pyridinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[6-butyl-3-(butylamino)-2-oxopyridin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[6-butyl-3-(butylamino)-2-keto-1-pyridyl]methyl]phenyl]benzonitrile Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)NCCCC

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)NCCCC

InChI

InChI=1S/C27H31N3O/c1-3-5-10-24-16-17-26(29-18-6-4-2)27(31)30(24)20-21-12-14-22(15-13-21)25-11-8-7-9-23(25)19-28/h7-9,11-17,29H,3-6,10,18,20H2,1-2H3