3-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]benzenecarbonitrile

Systemtic Name: 3-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]benzenecarbonitrile Openeye Name: 3-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]benzonitrile CAS Name: 3-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]benzonitrile IUPAC Name: 3-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]benzonitrile Traditional Name: 3-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]benzonitrile Formula: C21H14N2O MolecularWeight: 310.34866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H14N2O/c1-14-9-10-17(21-23-19-7-2-3-8-20(19)24-21)12-18(14)16-6-4-5-15(11-16)13-22/h2-12H,1H3