3,3-dimethyl-5-pyridin-3-yl-2H-1-benzoxepine-7-carbonitrile

Systemtic Name: 3,3-dimethyl-5-pyridin-3-yl-2H-1-benzoxepine-7-carbonitrile Openeye Name: 3,3-dimethyl-5-(3-pyridyl)-2H-1-benzoxepine-7-carbonitrile CAS Name: 3,3-dimethyl-5-(3-pyridinyl)-2H-1-benzoxepin-7-carbonitrile IUPAC Name: 3,3-dimethyl-5-pyridin-3-yl-2H-1-benzoxepine-7-carbonitrile Traditional Name: 3,3-dimethyl-5-(3-pyridyl)-2H-1-benzoxepin-7-carbonitrile Formula: C18H16N2O MolecularWeight: 276.33244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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