1-[(3-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-benzyloxyphenyl)-(3-fluorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-benzoxyphenyl)-(3-fluorophenyl)methyl]-1,4-diazepane Formula: C25H27FN2O MolecularWeight: 390.493083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)F)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)F)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C25H27FN2O/c26-22-11-6-10-21(18-22)25(28-16-7-14-27-15-17-28)23-12-4-5-13-24(23)29-19-20-8-2-1-3-9-20/h1-6,8-13,18,25,27H,7,14-17,19H2