1-[(3,4-dichlorophenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3,4-dichlorophenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3,4-dichlorophenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,4-dichlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,4-dichlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3,4-dichlorophenyl)-(4-ethoxy-3-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)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCNCC3)OC

Isomeric SMILES

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

InChI

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