1-[[2,3-bis(chloranyl)phenyl]-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[[2,3-bis(chloranyl)phenyl]-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-benzyloxyphenyl)-(2,3-dichlorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,3-dichlorophenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,3-dichlorophenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-benzoxyphenyl)-(2,3-dichlorophenyl)methyl]-1,4-diazepane Formula: C25H26Cl2N2O MolecularWeight: 441.39274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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