4-[(4-chlorophenyl)methyl-pyrimidin-2-yl-amino]benzenecarbonitrile

Systemtic Name: 4-[(4-chlorophenyl)methyl-pyrimidin-2-yl-amino]benzenecarbonitrile Openeye Name: 4-[(4-chlorophenyl)methyl-pyrimidin-2-yl-amino]benzonitrile CAS Name: 4-[(4-chlorophenyl)methyl-(2-pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(4-chlorophenyl)methyl-pyrimidin-2-ylamino]benzonitrile Traditional Name: 4-[(4-chlorobenzyl)-(2-pyrimidyl)amino]benzonitrile Formula: C18H13ClN4 MolecularWeight: 320.77562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)N(CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CN=C(N=C1)N(CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13ClN4/c19-16-6-2-15(3-7-16)13-23(18-21-10-1-11-22-18)17-8-4-14(12-20)5-9-17/h1-11H,13H2