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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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