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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(4-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(p-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(4-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(p-tolyl)methyl]-1,4-diazepane Formula: C21H27BrN2O MolecularWeight: 403.35588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O/c1-3-25-20-10-9-18(22)15-19(20)21(17-7-5-16(2)6-8-17)24-13-4-11-23-12-14-24/h5-10,15,21,23H,3-4,11-14H2,1-2H3