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

Systemtic Name: 2-[4-[(2-ethyl-4-oxidanylidene-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-ethyl-4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-ethyl-4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-ethyl-4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-ethyl-4-keto-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile Formula: C23H23N3O MolecularWeight: 357.44822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C(N1)CC)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCC1=C(C(=O)N=C(N1)CC)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H23N3O/c1-3-7-21-20(23(27)26-22(4-2)25-21)14-16-10-12-17(13-11-16)19-9-6-5-8-18(19)15-24/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,25,26,27)