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

Systemtic Name: 5-[(6-butyl-2-ethyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[(6-butyl-2-ethyl-4-oxo-1H-pyrimidin-5-yl)methyl]-2-phenyl-benzonitrile CAS Name: 5-[(6-butyl-2-ethyl-4-oxo-1H-pyrimidin-5-yl)methyl]-2-phenylbenzonitrile IUPAC Name: 5-[(6-butyl-2-ethyl-4-oxo-1H-pyrimidin-5-yl)methyl]-2-phenylbenzonitrile Traditional Name: 5-[(6-butyl-2-ethyl-4-keto-1H-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)CC)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

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

InChI

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