1-[(5-chloranyl-2-ethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-chloranyl-2-ethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-2-ethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-ethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-2-ethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-2-ethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C22H29ClN2O3 MolecularWeight: 404.93026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN2O3/c1-4-28-19-9-7-17(23)15-18(19)22(25-12-5-10-24-11-13-25)16-6-8-20(26-2)21(14-16)27-3/h6-9,14-15,22,24H,4-5,10-13H2,1-3H3