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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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