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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]-1,4-diazepane Formula: C27H31ClN2O3 MolecularWeight: 466.99964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClN2O3/c1-31-24-12-10-22(28)18-23(24)27(30-15-6-13-29-14-16-30)21-9-11-25(26(17-21)32-2)33-19-20-7-4-3-5-8-20/h3-5,7-12,17-18,27,29H,6,13-16,19H2,1-2H3