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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=CN1)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCC1=C(C(=O)N=CN1)CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N

InChI

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