1-[(3-methoxy-4-phenylmethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C27H29F3N2O2 MolecularWeight: 470.52657

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29F3N2O2/c1-33-25-18-22(11-12-24(25)34-19-20-7-3-2-4-8-20)26(32-15-6-13-31-14-16-32)21-9-5-10-23(17-21)27(28,29)30/h2-5,7-12,17-18,26,31H,6,13-16,19H2,1H3