3,3,8-trimethyl-5-pyridin-2-yl-2H-1-benzoxepine-7-carbonitrile

Systemtic Name: 3,3,8-trimethyl-5-pyridin-2-yl-2H-1-benzoxepine-7-carbonitrile Openeye Name: 3,3,8-trimethyl-5-(2-pyridyl)-2H-1-benzoxepine-7-carbonitrile CAS Name: 3,3,8-trimethyl-5-(2-pyridinyl)-2H-1-benzoxepin-7-carbonitrile IUPAC Name: 3,3,8-trimethyl-5-pyridin-2-yl-2H-1-benzoxepine-7-carbonitrile Traditional Name: 3,3,8-trimethyl-5-(2-pyridyl)-2H-1-benzoxepin-7-carbonitrile Formula: C19H18N2O MolecularWeight: 290.35902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C#N)C(=CC(CO2)(C)C)C3=CC=CC=N3

Isomeric SMILES

CC1=CC2=C(C=C1C#N)C(=CC(CO2)(C)C)C3=CC=CC=N3

InChI

InChI=1S/C19H18N2O/c1-13-8-18-15(9-14(13)11-20)16(10-19(2,3)12-22-18)17-6-4-5-7-21-17/h4-10H,12H2,1-3H3