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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(2,4-dichlorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,4-dichlorophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,4-dichlorophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(2,4-dichlorophenyl)methyl]-1,4-diazepane Formula: C26H28Cl2N2O2 MolecularWeight: 471.41872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28Cl2N2O2/c1-31-25-16-20(8-11-24(25)32-18-19-6-3-2-4-7-19)26(30-14-5-12-29-13-15-30)22-10-9-21(27)17-23(22)28/h2-4,6-11,16-17,26,29H,5,12-15,18H2,1H3