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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(2-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(o-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(o-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=CC=C2C)N3CCCNCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2C)N3CCCNCC3

InChI

InChI=1S/C21H27BrN2O/c1-3-25-20-10-9-17(22)15-19(20)21(18-8-5-4-7-16(18)2)24-13-6-11-23-12-14-24/h4-5,7-10,15,21,23H,3,6,11-14H2,1-2H3