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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(2-methoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2-methoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(2-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(2-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2-methoxyphenyl)methyl]-1,4-diazepane Formula: C21H27BrN2O2 MolecularWeight: 419.35528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2OC)N3CCCNCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2OC)N3CCCNCC3

InChI

InChI=1S/C21H27BrN2O2/c1-3-26-20-10-9-16(22)15-18(20)21(24-13-6-11-23-12-14-24)17-7-4-5-8-19(17)25-2/h4-5,7-10,15,21,23H,3,6,11-14H2,1-2H3