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

Systemtic Name: 5-[(4-butyl-6-chloranyl-2-methyl-pyrimidin-5-yl)methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[(4-butyl-6-chloro-2-methyl-pyrimidin-5-yl)methyl]-2-phenyl-benzonitrile CAS Name: 5-[(4-butyl-6-chloro-2-methyl-5-pyrimidinyl)methyl]-2-phenylbenzonitrile IUPAC Name: 5-[(4-butyl-6-chloro-2-methylpyrimidin-5-yl)methyl]-2-phenylbenzonitrile Traditional Name: 5-[(4-butyl-6-chloro-2-methyl-pyrimidin-5-yl)methyl]-2-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=C3)C#N

Isomeric SMILES

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

InChI

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