5-[(4-butyl-1,2-dimethyl-6-oxidanylidene-pyrimidin-5-yl)methyl]-2-phenyl-benzenecarbonitrile

Systemtic Name: 5-[(4-butyl-1,2-dimethyl-6-oxidanylidene-pyrimidin-5-yl)methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[(4-butyl-1,2-dimethyl-6-oxo-pyrimidin-5-yl)methyl]-2-phenyl-benzonitrile CAS Name: 5-[(4-butyl-1,2-dimethyl-6-oxo-5-pyrimidinyl)methyl]-2-phenylbenzonitrile IUPAC Name: 5-[(4-butyl-1,2-dimethyl-6-oxopyrimidin-5-yl)methyl]-2-phenylbenzonitrile Traditional Name: 5-[(4-butyl-6-keto-1,2-dimethyl-pyrimidin-5-yl)methyl]-2-phenyl-benzonitrile Formula: C24H25N3O MolecularWeight: 371.4748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(C(=N1)C)C)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCC1=C(C(=O)N(C(=N1)C)C)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C24H25N3O/c1-4-5-11-23-22(24(28)27(3)17(2)26-23)15-18-12-13-21(20(14-18)16-25)19-9-7-6-8-10-19/h6-10,12-14H,4-5,11,15H2,1-3H3