1-[(3,5-dimethylphenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethylphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC(=CC(=C2)C)C)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC(=CC(=C2)C)C)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H36N2O2/c1-4-32-28-20-25(11-12-27(28)33-21-24-9-6-5-7-10-24)29(31-15-8-13-30-14-16-31)26-18-22(2)17-23(3)19-26/h5-7,9-12,17-20,29-30H,4,8,13-16,21H2,1-3H3