1-[(5-bromanyl-2-methoxy-phenyl)-(4-phenylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-(4-phenylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(4-phenylphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(4-phenylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-(4-phenylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(4-phenylphenyl)methyl]-1,4-diazepane Formula: C25H27BrN2O MolecularWeight: 451.39868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCNCC4

InChI

InChI=1S/C25H27BrN2O/c1-29-24-13-12-22(26)18-23(24)25(28-16-5-14-27-15-17-28)21-10-8-20(9-11-21)19-6-3-2-4-7-19/h2-4,6-13,18,25,27H,5,14-17H2,1H3