1-(4-bromanyl-3-methoxy-phenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]-1,4-diazepane

Systemtic Name: 1-(4-bromanyl-3-methoxy-phenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]-1,4-diazepane Openeye Name: 1-(4-bromo-3-methoxy-phenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]-1,4-diazepane CAS Name: 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]-1,4-diazepane IUPAC Name: 1-(4-bromo-3-methoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]-1,4-diazepane Traditional Name: 1-(4-bromo-3-methoxy-phenyl)-4-[1-(3,4-dimethoxyphenyl)ethyl]-1,4-diazepane Formula: C22H29BrN2O3 MolecularWeight: 449.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)N2CCCN(CC2)C3=CC(=C(C=C3)Br)OC

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)OC)N2CCCN(CC2)C3=CC(=C(C=C3)Br)OC

InChI

InChI=1S/C22H29BrN2O3/c1-16(17-6-9-20(26-2)22(14-17)28-4)24-10-5-11-25(13-12-24)18-7-8-19(23)21(15-18)27-3/h6-9,14-16H,5,10-13H2,1-4H3