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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NC(=N1)C)Cl)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1=C(C(=NC(=N1)C)Cl)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

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