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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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