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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

C1CNCCN(C1)C(C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

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