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

Systemtic Name: 2-[4-[(4-chloranyl-6-propyl-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-chloro-6-propyl-pyrimidin-5-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(4-chloro-6-propyl-5-pyrimidinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-chloro-6-propylpyrimidin-5-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-chloro-6-propyl-pyrimidin-5-yl)methyl]phenyl]benzonitrile Formula: C21H18ClN3 MolecularWeight: 347.84072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3/c1-2-5-20-19(21(22)25-14-24-20)12-15-8-10-16(11-9-15)18-7-4-3-6-17(18)13-23/h3-4,6-11,14H,2,5,12H2,1H3