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

Systemtic Name: 2-[4-[(4-chloranyl-2-ethyl-6-propyl-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-chloro-2-ethyl-6-propyl-pyrimidin-5-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(4-chloro-2-ethyl-6-propyl-5-pyrimidinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-chloro-2-ethyl-6-propylpyrimidin-5-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-chloro-2-ethyl-6-propyl-pyrimidin-5-yl)methyl]phenyl]benzonitrile Formula: C23H22ClN3 MolecularWeight: 375.89388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3/c1-3-7-21-20(23(24)27-22(4-2)26-21)14-16-10-12-17(13-11-16)19-9-6-5-8-18(19)15-25/h5-6,8-13H,3-4,7,14H2,1-2H3