3,3-dimethyl-7-phenyl-2H-1-benzoxepine-5-carbonitrile

Systemtic Name: 3,3-dimethyl-7-phenyl-2H-1-benzoxepine-5-carbonitrile Openeye Name: 3,3-dimethyl-7-phenyl-2H-1-benzoxepine-5-carbonitrile CAS Name: 3,3-dimethyl-7-phenyl-2H-1-benzoxepin-5-carbonitrile IUPAC Name: 3,3-dimethyl-7-phenyl-2H-1-benzoxepine-5-carbonitrile Traditional Name: 3,3-dimethyl-7-phenyl-2H-1-benzoxepin-5-carbonitrile Formula: C19H17NO MolecularWeight: 275.34438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO/c1-19(2)11-16(12-20)17-10-15(8-9-18(17)21-13-19)14-6-4-3-5-7-14/h3-11H,13H2,1-2H3