1-[(3,5-dimethylphenyl)-(2-ethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3,5-dimethylphenyl)-(2-ethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3,5-dimethylphenyl)-(2-ethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethylphenyl)-(2-ethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethylphenyl)-(2-ethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3,5-dimethylphenyl)-o-phenetyl-methyl]-1,4-diazepane Formula: C22H30N2O MolecularWeight: 338.4864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C2=CC(=CC(=C2)C)C)N3CCCNCC3

Isomeric SMILES

CCOC1=CC=CC=C1C(C2=CC(=CC(=C2)C)C)N3CCCNCC3

InChI

InChI=1S/C22H30N2O/c1-4-25-21-9-6-5-8-20(21)22(24-12-7-10-23-11-13-24)19-15-17(2)14-18(3)16-19/h5-6,8-9,14-16,22-23H,4,7,10-13H2,1-3H3