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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-phenyl-methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-phenyl-methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-phenylmethyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-phenylmethyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-phenyl-methyl]-1,4-diazepane Formula: C20H25BrN2O MolecularWeight: 389.3293

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2)N3CCCNCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2)N3CCCNCC3

InChI

InChI=1S/C20H25BrN2O/c1-2-24-19-10-9-17(21)15-18(19)20(16-7-4-3-5-8-16)23-13-6-11-22-12-14-23/h3-5,7-10,15,20,22H,2,6,11-14H2,1H3