1-[(5-chloranyl-2-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-chloranyl-2-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-2-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-ethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-2-ethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-2-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C22H29ClN2O3 MolecularWeight: 404.93026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)C(C2=C(C=CC=C2OC)OC)N3CCCNCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)C(C2=C(C=CC=C2OC)OC)N3CCCNCC3

InChI

InChI=1S/C22H29ClN2O3/c1-4-28-18-10-9-16(23)15-17(18)22(25-13-6-11-24-12-14-25)21-19(26-2)7-5-8-20(21)27-3/h5,7-10,15,22,24H,4,6,11-14H2,1-3H3