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

Systemtic Name: 1-[(5-chloranyl-2-ethoxy-phenyl)-(5-chloranyl-2-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-2-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-2-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]-1,4-diazepane Formula: C21H26Cl2N2O2 MolecularWeight: 409.34934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26Cl2N2O2/c1-3-27-20-8-6-16(23)14-18(20)21(25-11-4-9-24-10-12-25)17-13-15(22)5-7-19(17)26-2/h5-8,13-14,21,24H,3-4,9-12H2,1-2H3