9-chloranyl-5-(4-hydroxyphenyl)-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol hydrochloride

Systemtic Name: 9-chloranyl-5-(4-hydroxyphenyl)-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol hydrochloride Openeye Name: 8-benzyloxy-9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol hydrochloride CAS Name: 9-chloro-5-(4-hydroxyphenyl)-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol hydrochloride IUPAC Name: 9-chloro-5-(4-hydroxyphenyl)-8-phenylmethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol hydrochloride Traditional Name: 8-benzoxy-9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol hydrochloride Formula: C23H23Cl2NO3 MolecularWeight: 432.33962

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C2=CC(=C(C(=C21)Cl)OCC3=CC=CC=C3)O)C4=CC=C(C=C4)O.Cl

Isomeric SMILES

C1CNCC(C2=CC(=C(C(=C21)Cl)OCC3=CC=CC=C3)O)C4=CC=C(C=C4)O.Cl

InChI

InChI=1S/C23H22ClNO3.ClH/c24-22-18-10-11-25-13-20(16-6-8-17(26)9-7-16)19(18)12-21(27)23(22)28-14-15-4-2-1-3-5-15;/h1-9,12,20,25-27H,10-11,13-14H2;1H