1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxyphenyl)-(2,4-dichlorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxyphenyl)-(2,4-dichlorophenyl)methyl]-1,4-diazepane Formula: C25H26Cl2N2O MolecularWeight: 441.39274

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H26Cl2N2O/c26-21-9-12-23(24(27)17-21)25(29-15-4-13-28-14-16-29)20-7-10-22(11-8-20)30-18-19-5-2-1-3-6-19/h1-3,5-12,17,25,28H,4,13-16,18H2