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

Systemtic Name: 5-[(4-butyl-2-methyl-6-oxidanylidene-1-propyl-pyrimidin-5-yl)methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[(4-butyl-2-methyl-6-oxo-1-propyl-pyrimidin-5-yl)methyl]-2-phenyl-benzonitrile CAS Name: 5-[(4-butyl-2-methyl-6-oxo-1-propyl-5-pyrimidinyl)methyl]-2-phenylbenzonitrile IUPAC Name: 5-[(4-butyl-2-methyl-6-oxo-1-propylpyrimidin-5-yl)methyl]-2-phenylbenzonitrile Traditional Name: 5-[(4-butyl-6-keto-2-methyl-1-propyl-pyrimidin-5-yl)methyl]-2-phenyl-benzonitrile Formula: C26H29N3O MolecularWeight: 399.52796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O/c1-4-6-12-25-24(26(30)29(15-5-2)19(3)28-25)17-20-13-14-23(22(16-20)18-27)21-10-8-7-9-11-21/h7-11,13-14,16H,4-6,12,15,17H2,1-3H3