9-chloranyl-5-(4-phenylmethoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

Systemtic Name: 9-chloranyl-5-(4-phenylmethoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Openeye Name: 5-(4-benzyloxyphenyl)-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CAS Name: 9-chloro-5-(4-phenylmethoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol IUPAC Name: 9-chloro-5-(4-phenylmethoxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Traditional Name: 5-(4-benzoxyphenyl)-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Formula: C23H22ClNO3 MolecularWeight: 395.87868

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

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