1-[(2-methylphenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-methylphenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxyphenyl)-(o-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(2-methylphenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-methylphenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxyphenyl)-(o-tolyl)methyl]-1,4-diazepane Formula: C26H30N2O MolecularWeight: 386.5292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCNCC4

InChI

InChI=1S/C26H30N2O/c1-21-8-5-6-11-25(21)26(28-18-7-16-27-17-19-28)23-12-14-24(15-13-23)29-20-22-9-3-2-4-10-22/h2-6,8-15,26-27H,7,16-20H2,1H3