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

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(furan-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2-furyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(2-furanyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(furan-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2-furyl)methyl]-1,4-diazepane Formula: C25H30N2O4 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CO3)N4CCCNCC4

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CO3)N4CCCNCC4

InChI

InChI=1S/C25H30N2O4/c1-28-22-16-20(17-23(29-2)25(22)31-18-19-8-4-3-5-9-19)24(21-10-6-15-30-21)27-13-7-11-26-12-14-27/h3-6,8-10,15-17,24,26H,7,11-14,18H2,1-2H3