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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]-1,4-diazepane Formula: C28H33ClN2O4 MolecularWeight: 497.02562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCNCC4

InChI

InChI=1S/C28H33ClN2O4/c1-32-24-11-10-22(29)18-23(24)27(31-14-7-12-30-13-15-31)21-16-25(33-2)28(26(17-21)34-3)35-19-20-8-5-4-6-9-20/h4-6,8-11,16-18,27,30H,7,12-15,19H2,1-3H3