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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-benzyloxyphenyl)-(2,4-dichlorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,4-dichlorophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,4-dichlorophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-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(=CC=C2)OCC3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

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