3,3-dimethyl-5-pyridin-2-yl-2H-1-benzoxepine-8-carbonitrile

Systemtic Name: 3,3-dimethyl-5-pyridin-2-yl-2H-1-benzoxepine-8-carbonitrile Openeye Name: 3,3-dimethyl-5-(2-pyridyl)-2H-1-benzoxepine-8-carbonitrile CAS Name: 3,3-dimethyl-5-(2-pyridinyl)-2H-1-benzoxepin-8-carbonitrile IUPAC Name: 3,3-dimethyl-5-pyridin-2-yl-2H-1-benzoxepine-8-carbonitrile Traditional Name: 3,3-dimethyl-5-(2-pyridyl)-2H-1-benzoxepin-8-carbonitrile Formula: C18H16N2O MolecularWeight: 276.33244

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)C#N)C(=C1)C3=CC=CC=N3)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)C#N)C(=C1)C3=CC=CC=N3)C

InChI

InChI=1S/C18H16N2O/c1-18(2)10-15(16-5-3-4-8-20-16)14-7-6-13(11-19)9-17(14)21-12-18/h3-10H,12H2,1-2H3