5-[(4-butyl-6-methanoyl-2-methyl-pyrimidin-5-yl)methyl]-2-phenyl-benzenecarbonitrile

Systemtic Name: 5-[(4-butyl-6-methanoyl-2-methyl-pyrimidin-5-yl)methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[(4-butyl-6-formyl-2-methyl-pyrimidin-5-yl)methyl]-2-phenyl-benzonitrile CAS Name: 5-[(4-butyl-6-formyl-2-methyl-5-pyrimidinyl)methyl]-2-phenylbenzonitrile IUPAC Name: 5-[(4-butyl-6-formyl-2-methylpyrimidin-5-yl)methyl]-2-phenylbenzonitrile Traditional Name: 5-[(4-butyl-6-formyl-2-methyl-pyrimidin-5-yl)methyl]-2-phenyl-benzonitrile Formula: C24H23N3O MolecularWeight: 369.45892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC(=C1CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N)C=O)C

Isomeric SMILES

CCCCC1=NC(=NC(=C1CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N)C=O)C

InChI

InChI=1S/C24H23N3O/c1-3-4-10-23-22(24(16-28)27-17(2)26-23)14-18-11-12-21(20(13-18)15-25)19-8-6-5-7-9-19/h5-9,11-13,16H,3-4,10,14H2,1-2H3