5-[2-(2,6-dibutyl-4-oxidanylidene-1H-pyrimidin-5-yl)ethyl]-2-phenyl-benzenecarbonitrile

Systemtic Name: 5-[2-(2,6-dibutyl-4-oxidanylidene-1H-pyrimidin-5-yl)ethyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[2-(2,6-dibutyl-4-oxo-1H-pyrimidin-5-yl)ethyl]-2-phenyl-benzonitrile CAS Name: 5-[2-(2,6-dibutyl-4-oxo-1H-pyrimidin-5-yl)ethyl]-2-phenylbenzonitrile IUPAC Name: 5-[2-(2,6-dibutyl-4-oxo-1H-pyrimidin-5-yl)ethyl]-2-phenylbenzonitrile Traditional Name: 5-[2-(2,6-dibutyl-4-keto-1H-pyrimidin-5-yl)ethyl]-2-phenyl-benzonitrile Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=C(N1)CCCC)CCC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCC1=C(C(=O)N=C(N1)CCCC)CCC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

InChI

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