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

Systemtic Name: 5-[(2-methyl-4-oxidanylidene-6-propyl-1H-pyrimidin-5-yl)methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[(2-methyl-4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]-2-phenyl-benzonitrile CAS Name: 5-[(2-methyl-4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]-2-phenylbenzonitrile IUPAC Name: 5-[(2-methyl-4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]-2-phenylbenzonitrile Traditional Name: 5-[(4-keto-2-methyl-6-propyl-1H-pyrimidin-5-yl)methyl]-2-phenyl-benzonitrile Formula: C22H21N3O MolecularWeight: 343.42164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O/c1-3-7-21-20(22(26)25-15(2)24-21)13-16-10-11-19(18(12-16)14-23)17-8-5-4-6-9-17/h4-6,8-12H,3,7,13H2,1-2H3,(H,24,25,26)