7-(4-chlorophenyl)carbonyl-3,3-dimethyl-2H-1-benzoxepine-5-carbonitrile

Systemtic Name: 7-(4-chlorophenyl)carbonyl-3,3-dimethyl-2H-1-benzoxepine-5-carbonitrile Openeye Name: 7-(4-chlorobenzoyl)-3,3-dimethyl-2H-1-benzoxepine-5-carbonitrile CAS Name: 7-[(4-chlorophenyl)-oxomethyl]-3,3-dimethyl-2H-1-benzoxepin-5-carbonitrile IUPAC Name: 7-(4-chlorobenzoyl)-3,3-dimethyl-2H-1-benzoxepine-5-carbonitrile Traditional Name: 7-(4-chlorobenzoyl)-3,3-dimethyl-2H-1-benzoxepin-5-carbonitrile Formula: C20H16ClNO2 MolecularWeight: 337.79954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClNO2/c1-20(2)10-15(11-22)17-9-14(5-8-18(17)24-12-20)19(23)13-3-6-16(21)7-4-13/h3-10H,12H2,1-2H3