3-chloranyl-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine

Systemtic Name: 3-chloranyl-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine Openeye Name: 3-chloro-2-(3,4-dimethoxyphenyl)-5-(p-tolyl)-1-benzoxepine CAS Name: 3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepin IUPAC Name: 3-chloro-2-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-1-benzoxepine Traditional Name: 3-chloro-2-(3,4-dimethoxyphenyl)-5-(p-tolyl)-1-benzoxepin Formula: C25H21ClO3 MolecularWeight: 404.88544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(OC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(OC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC)Cl

InChI

InChI=1S/C25H21ClO3/c1-16-8-10-17(11-9-16)20-15-21(26)25(29-22-7-5-4-6-19(20)22)18-12-13-23(27-2)24(14-18)28-3/h4-15H,1-3H3