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

Systemtic Name: 5-(1-benzothiophen-7-yl)-9-chloranyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Openeye Name: 5-(benzothiophen-7-yl)-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CAS Name: 5-(1-benzothiophen-7-yl)-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol IUPAC Name: 5-(1-benzothiophen-7-yl)-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Traditional Name: 5-(benzothiophen-7-yl)-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Formula: C18H16ClNO2S MolecularWeight: 345.84314

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC4=C3SC=C4

Isomeric SMILES

C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC4=C3SC=C4

InChI

InChI=1S/C18H16ClNO2S/c19-16-11-4-6-20-9-14(13(11)8-15(21)17(16)22)12-3-1-2-10-5-7-23-18(10)12/h1-3,5,7-8,14,20-22H,4,6,9H2