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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3,5-dimethylphenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Formula: C26H30N2O MolecularWeight: 386.5292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCNCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCNCC4)C

InChI

InChI=1S/C26H30N2O/c1-20-16-21(2)18-23(17-20)26(28-14-7-12-27-13-15-28)22-8-6-11-25(19-22)29-24-9-4-3-5-10-24/h3-6,8-11,16-19,26-27H,7,12-15H2,1-2H3