2-[4-[[4-chloranyl-2-(methoxymethyl)-6-propyl-pyrimidin-5-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-chloranyl-2-(methoxymethyl)-6-propyl-pyrimidin-5-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-chloro-2-(methoxymethyl)-6-propyl-pyrimidin-5-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-chloro-2-(methoxymethyl)-6-propyl-5-pyrimidinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-chloro-2-(methoxymethyl)-6-propylpyrimidin-5-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-chloro-2-(methoxymethyl)-6-propyl-pyrimidin-5-yl]methyl]phenyl]benzonitrile Formula: C23H22ClN3O MolecularWeight: 391.89328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=N1)COC)Cl)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCC1=C(C(=NC(=N1)COC)Cl)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H22ClN3O/c1-3-6-21-20(23(24)27-22(26-21)15-28-2)13-16-9-11-17(12-10-16)19-8-5-4-7-18(19)14-25/h4-5,7-12H,3,6,13,15H2,1-2H3