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

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C28H30ClF3N2O3 MolecularWeight: 534.99761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClF3N2O3/c1-35-24-15-20(16-25(36-2)27(24)37-18-19-7-4-3-5-8-19)26(34-13-6-11-33-12-14-34)22-17-21(28(30,31)32)9-10-23(22)29/h3-5,7-10,15-17,26,33H,6,11-14,18H2,1-2H3