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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2,4-dichlorophenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]-1,4-diazepane Formula: C21H26Cl2N2O2 MolecularWeight: 409.34934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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