1-[(5-chloranyl-2-methoxy-phenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxyphenyl)-(5-chloro-2-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxyphenyl)-(5-chloro-2-methoxy-phenyl)methyl]-1,4-diazepane Formula: C26H29ClN2O2 MolecularWeight: 436.97366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)N4CCCNCC4

InChI

InChI=1S/C26H29ClN2O2/c1-30-25-13-10-22(27)18-24(25)26(29-16-5-14-28-15-17-29)21-8-11-23(12-9-21)31-19-20-6-3-2-4-7-20/h2-4,6-13,18,26,28H,5,14-17,19H2,1H3