1-[(3-ethoxy-4-phenylmethoxy-phenyl)-naphthalen-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-naphthalen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2-naphthyl)methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(2-naphthalenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-naphthalen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2-naphthyl)methyl]-1,4-diazepane Formula: C31H34N2O2 MolecularWeight: 466.61386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCCNCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H34N2O2/c1-2-34-30-22-28(15-16-29(30)35-23-24-9-4-3-5-10-24)31(33-19-8-17-32-18-20-33)27-14-13-25-11-6-7-12-26(25)21-27/h3-7,9-16,21-22,31-32H,2,8,17-20,23H2,1H3