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

Systemtic Name: 2-[4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-keto-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile Formula: C21H19N3O MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=CN1)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCC1=C(C(=O)N=CN1)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H19N3O/c1-2-5-20-19(21(25)24-14-23-20)12-15-8-10-16(11-9-15)18-7-4-3-6-17(18)13-22/h3-4,6-11,14H,2,5,12H2,1H3,(H,23,24,25)