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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(2-benzyloxyphenyl)-(5-chloro-2-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(2-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=C2OCC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCNCC4

InChI

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