1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2,4-dichlorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2,4-dichlorophenyl)methyl]-1,4-diazepane Formula: C27H30Cl2N2O3 MolecularWeight: 501.4447

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=C(C=C(C=C3)Cl)Cl)N4CCCNCC4

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=C(C=C(C=C3)Cl)Cl)N4CCCNCC4

InChI

InChI=1S/C27H30Cl2N2O3/c1-32-24-15-20(16-25(33-2)27(24)34-18-19-7-4-3-5-8-19)26(31-13-6-11-30-12-14-31)22-10-9-21(28)17-23(22)29/h3-5,7-10,15-17,26,30H,6,11-14,18H2,1-2H3