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

Systemtic Name: 2-[4-[(6-butyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(6-butyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(6-butyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(6-butyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(6-butyl-4-keto-1H-pyrimidin-5-yl)methyl]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=C3C#N

Isomeric SMILES

CCCCC1=C(C(=O)N=CN1)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

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