1-[(5-bromanyl-2-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C22H29BrN2O3 MolecularWeight: 449.38126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN2O3/c1-4-28-18-10-9-16(23)15-17(18)22(25-13-6-11-24-12-14-25)21-19(26-2)7-5-8-20(21)27-3/h5,7-10,15,22,24H,4,6,11-14H2,1-3H3