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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O/c1-4-25-21-8-6-19(7-9-21)22(24-12-5-10-23-11-13-24)20-15-17(2)14-18(3)16-20/h6-9,14-16,22-23H,4-5,10-13H2,1-3H3