1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(4-phenylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(4-phenylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(4-phenylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(4-phenylphenyl)methyl]-1,4-diazepane Formula: C33H36N2O2 MolecularWeight: 492.65114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCNCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C33H36N2O2/c1-2-36-32-24-30(18-19-31(32)37-25-26-10-5-3-6-11-26)33(35-22-9-20-34-21-23-35)29-16-14-28(15-17-29)27-12-7-4-8-13-27/h3-8,10-19,24,33-34H,2,9,20-23,25H2,1H3