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

Systemtic Name: 2-[4-[[6-butyl-3-(diethylaminomethyl)-2-oxidanylidene-pyridin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[6-butyl-3-(diethylaminomethyl)-2-oxo-1-pyridyl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[6-butyl-3-(diethylaminomethyl)-2-oxo-1-pyridinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[6-butyl-3-(diethylaminomethyl)-2-oxopyridin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[6-butyl-3-(diethylaminomethyl)-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)CN(CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O/c1-4-7-11-26-18-17-25(21-30(5-2)6-3)28(32)31(26)20-22-13-15-23(16-14-22)27-12-9-8-10-24(27)19-29/h8-10,12-18H,4-7,11,20-21H2,1-3H3