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

Systemtic Name: 1-[(4-methylphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-benzyloxyphenyl)-(p-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(4-methylphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-methylphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-benzoxyphenyl)-(p-tolyl)methyl]-1,4-diazepane Formula: C26H30N2O MolecularWeight: 386.5292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCNCC4

InChI

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