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

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

Systemtic Name:1-[(3,5-dimethylphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
Openeye Name:1-[(3-benzyloxyphenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane
CAS Name:1-[(3,5-dimethylphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
IUPAC Name:1-[(3,5-dimethylphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
Traditional Name:1-[(3-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=C2)OCC3=CC=CC=C3)N4CCCNCC4)C


Isomeric SMILES

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


InChI

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


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