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

Systemtic Name: 3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)-9-iodanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)-9-iodo-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)-9-iodo-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)-9-iodo-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 3-(cyclopentylmethyl)-5-(4-hydroxyphenyl)-9-iodo-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C22H26INO3 MolecularWeight: 479.35121

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CN2CCC3=C(C(=C(C=C3C(C2)C4=CC=C(C=C4)O)O)O)I

Isomeric SMILES

C1CCC(C1)CN2CCC3=C(C(=C(C=C3C(C2)C4=CC=C(C=C4)O)O)O)I

InChI

InChI=1S/C22H26INO3/c23-21-17-9-10-24(12-14-3-1-2-4-14)13-19(15-5-7-16(25)8-6-15)18(17)11-20(26)22(21)27/h5-8,11,14,19,25-27H,1-4,9-10,12-13H2