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

Systemtic Name: 2-[4-[[6-butyl-3-(butylaminomethyl)-2-oxidanylidene-pyridin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[6-butyl-3-(butylaminomethyl)-2-oxo-1-pyridyl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[6-butyl-3-(butylaminomethyl)-2-oxo-1-pyridinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[6-butyl-3-(butylaminomethyl)-2-oxopyridin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[6-butyl-3-(butylaminomethyl)-2-keto-1-pyridyl]methyl]phenyl]benzonitrile Formula: C28H33N3O MolecularWeight: 427.58112

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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)CNCCCC

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O/c1-3-5-10-26-17-16-25(20-30-18-6-4-2)28(32)31(26)21-22-12-14-23(15-13-22)27-11-8-7-9-24(27)19-29/h7-9,11-17,30H,3-6,10,18,20-21H2,1-2H3