6-chloranyl-1-phenyl-3-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-7,8-diol hydrochloride

Systemtic Name: 6-chloranyl-1-phenyl-3-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-7,8-diol hydrochloride Openeye Name: 6-chloro-1-phenyl-3-(2-thienylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-7,8-diol hydrochloride CAS Name: 6-chloro-1-phenyl-3-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-7,8-diol hydrochloride IUPAC Name: 6-chloro-1-phenyl-3-(thiophen-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-7,8-diol hydrochloride Traditional Name: 6-chloro-1-phenyl-3-(2-thenyl)-2,3,4,5-tetrahydro-1-benzazepine-7,8-diol hydrochloride Formula: C21H21Cl2NO2S MolecularWeight: 422.36794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=C(C=C2N(CC1CC3=CC=CS3)C4=CC=CC=C4)O)O)Cl.Cl

Isomeric SMILES

C1CC2=C(C(=C(C=C2N(CC1CC3=CC=CS3)C4=CC=CC=C4)O)O)Cl.Cl

InChI

InChI=1S/C21H20ClNO2S.ClH/c22-20-17-9-8-14(11-16-7-4-10-26-16)13-23(15-5-2-1-3-6-15)18(17)12-19(24)21(20)25;/h1-7,10,12,14,24-25H,8-9,11,13H2;1H