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

Systemtic Name: 2-[4-[[6-butyl-2-oxidanylidene-3-(pyrrolidin-1-ylmethyl)pyridin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[6-butyl-2-oxo-3-(pyrrolidin-1-ylmethyl)-1-pyridyl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[6-butyl-2-oxo-3-(1-pyrrolidinylmethyl)-1-pyridinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[6-butyl-2-oxo-3-(pyrrolidin-1-ylmethyl)pyridin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[6-butyl-2-keto-3-(pyrrolidinomethyl)-1-pyridyl]methyl]phenyl]benzonitrile Formula: C28H31N3O MolecularWeight: 425.56524

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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)CN4CCCC4

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CN4CCCC4

InChI

InChI=1S/C28H31N3O/c1-2-3-9-26-16-15-25(21-30-17-6-7-18-30)28(32)31(26)20-22-11-13-23(14-12-22)27-10-5-4-8-24(27)19-29/h4-5,8,10-16H,2-3,6-7,9,17-18,20-21H2,1H3