9-bromanyl-3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

Systemtic Name: 9-bromanyl-3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 9-bromo-3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 9-bromo-3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 9-bromo-3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 9-bromo-3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C23H28BrNO3 MolecularWeight: 446.37732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCC3=C(C(=C(C=C3C(C2)C4=CC=C(C=C4)O)O)O)Br

Isomeric SMILES

C1CCC(CC1)CN2CCC3=C(C(=C(C=C3C(C2)C4=CC=C(C=C4)O)O)O)Br

InChI

InChI=1S/C23H28BrNO3/c24-22-18-10-11-25(13-15-4-2-1-3-5-15)14-20(16-6-8-17(26)9-7-16)19(18)12-21(27)23(22)28/h6-9,12,15,20,26-28H,1-5,10-11,13-14H2