4-[3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzenecarbonitrile

Systemtic Name: 4-[3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzenecarbonitrile Openeye Name: 4-[3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzonitrile CAS Name: 4-[3-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]benzonitrile IUPAC Name: 4-[3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzonitrile Traditional Name: 4-[3-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]benzonitrile Formula: C26H20N6 MolecularWeight: 416.4772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H20N6/c1-18(20-5-3-2-4-6-20)30-26-28-14-13-25(31-26)32-17-29-23-12-11-22(15-24(23)32)21-9-7-19(16-27)8-10-21/h2-15,17-18H,1H3,(H,28,30,31)