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

Systemtic Name: 5-(1-benzothiophen-5-yl)-9-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 5-(benzothiophen-5-yl)-9-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 5-(1-benzothiophen-5-yl)-9-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 5-(1-benzothiophen-5-yl)-9-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 5-(benzothiophen-5-yl)-9-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C19H18ClNO2S MolecularWeight: 359.86972

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC4=C(C=C3)SC=C4)O)O)Cl

Isomeric SMILES

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC4=C(C=C3)SC=C4)O)O)Cl

InChI

InChI=1S/C19H18ClNO2S/c1-21-6-4-13-14(9-16(22)19(23)18(13)20)15(10-21)11-2-3-17-12(8-11)5-7-24-17/h2-3,5,7-9,15,22-23H,4,6,10H2,1H3