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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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