1-[(2-methylphenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-methylphenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[o-tolyl-(3-phenoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2-methylphenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-methylphenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[o-tolyl-(3-phenoxyphenyl)methyl]-1,4-diazepane Formula: C25H28N2O MolecularWeight: 372.50262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCNCC4

InChI

InChI=1S/C25H28N2O/c1-20-9-5-6-14-24(20)25(27-17-8-15-26-16-18-27)21-10-7-13-23(19-21)28-22-11-3-2-4-12-22/h2-7,9-14,19,25-26H,8,15-18H2,1H3