1-[(3,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]-1,4-diazepane Formula: C27H30Cl2N2O2 MolecularWeight: 485.4453

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30Cl2N2O2/c1-2-32-26-18-22(10-12-25(26)33-19-20-7-4-3-5-8-20)27(31-15-6-13-30-14-16-31)21-9-11-23(28)24(29)17-21/h3-5,7-12,17-18,27,30H,2,6,13-16,19H2,1H3