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

Systemtic Name: 2-[4-[(4-chloranyl-2,6-dipropyl-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-chloro-2,6-dipropyl-pyrimidin-5-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(4-chloro-2,6-dipropyl-5-pyrimidinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(4-chloro-2,6-dipropylpyrimidin-5-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-chloro-2,6-dipropyl-pyrimidin-5-yl)methyl]phenyl]benzonitrile Formula: C24H24ClN3 MolecularWeight: 389.92046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN3/c1-3-7-22-21(24(25)28-23(27-22)8-4-2)15-17-11-13-18(14-12-17)20-10-6-5-9-19(20)16-26/h5-6,9-14H,3-4,7-8,15H2,1-2H3