1-[(5-chloranyl-2-methoxy-phenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(3-benzyloxyphenyl)-(5-chloro-2-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(3-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(=CC=C2)OCC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

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

InChI

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