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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Formula: C25H27ClN2O2 MolecularWeight: 422.94708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCNCC4

InChI

InChI=1S/C25H27ClN2O2/c1-29-24-12-11-20(26)18-23(24)25(28-15-6-13-27-14-16-28)19-7-5-10-22(17-19)30-21-8-3-2-4-9-21/h2-5,7-12,17-18,25,27H,6,13-16H2,1H3