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

Systemtic Name: 2-[4-[[6-butyl-2-oxidanylidene-3-[(propan-2-ylamino)methyl]pyridin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[6-butyl-3-[(isopropylamino)methyl]-2-oxo-1-pyridyl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[6-butyl-2-oxo-3-[(propan-2-ylamino)methyl]-1-pyridinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[6-butyl-2-oxo-3-[(propan-2-ylamino)methyl]pyridin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[6-butyl-3-[(isopropylamino)methyl]-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)CNC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O/c1-4-5-9-25-16-15-24(18-29-20(2)3)27(31)30(25)19-21-11-13-22(14-12-21)26-10-7-6-8-23(26)17-28/h6-8,10-16,20,29H,4-5,9,18-19H2,1-3H3