1-[(3,5-dimethylphenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3,5-dimethylphenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-benzyloxyphenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,5-dimethylphenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,5-dimethylphenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-benzoxyphenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane Formula: C27H32N2O MolecularWeight: 400.55578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCNCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCNCC4)C

InChI

InChI=1S/C27H32N2O/c1-21-17-22(2)19-24(18-21)27(29-15-8-13-28-14-16-29)25-11-6-7-12-26(25)30-20-23-9-4-3-5-10-23/h3-7,9-12,17-19,27-28H,8,13-16,20H2,1-2H3