3-(cyclopentylmethyl)-9-iodanyl-7,8-dimethoxy-5-(4-methoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine hydrobromide

Systemtic Name: 3-(cyclopentylmethyl)-9-iodanyl-7,8-dimethoxy-5-(4-methoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine hydrobromide Openeye Name: 3-(cyclopentylmethyl)-9-iodo-7,8-dimethoxy-5-(4-methoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine hydrobromide CAS Name: 3-(cyclopentylmethyl)-9-iodo-7,8-dimethoxy-5-(4-methoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine hydrobromide IUPAC Name: 3-(cyclopentylmethyl)-9-iodo-7,8-dimethoxy-5-(4-methoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine hydrobromide Traditional Name: 3-(cyclopentylmethyl)-9-iodo-7,8-dimethoxy-5-(4-methoxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine hydrobromide Formula: C25H33BrINO3 MolecularWeight: 602.34289

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CN(CCC3=C(C(=C(C=C23)OC)OC)I)CC4CCCC4.Br

Isomeric SMILES

COC1=CC=C(C=C1)C2CN(CCC3=C(C(=C(C=C23)OC)OC)I)CC4CCCC4.Br

InChI

InChI=1S/C25H32INO3.BrH/c1-28-19-10-8-18(9-11-19)22-16-27(15-17-6-4-5-7-17)13-12-20-21(22)14-23(29-2)25(30-3)24(20)26;/h8-11,14,17,22H,4-7,12-13,15-16H2,1-3H3;1H