(3Z,6Z)-8-chloranyl-N-methyl-5-oxidanyl-6-phenyl-1,5-benzodiazocin-2-imine hydrochloride

Systemtic Name: (3Z,6Z)-8-chloranyl-N-methyl-5-oxidanyl-6-phenyl-1,5-benzodiazocin-2-imine hydrochloride Openeye Name: (3Z,6Z)-8-chloro-5-hydroxy-N-methyl-6-phenyl-1,5-benzodiazocin-2-imine hydrochloride CAS Name: (3Z,6Z)-8-chloro-5-hydroxy-N-methyl-6-phenyl-1,5-benzodiazocin-2-imine hydrochloride IUPAC Name: (3Z,6Z)-8-chloro-5-hydroxy-N-methyl-6-phenyl-1,5-benzodiazocin-2-imine hydrochloride Traditional Name: [(3Z,6Z)-8-chloro-5-hydroxy-6-phenyl-1,5-benzodiazocin-2-ylidene]-methyl-amine hydrochloride Formula: C17H15Cl2N3O MolecularWeight: 348.2265

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1C=CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.Cl

Isomeric SMILES

CN=C1/C=C\N(/C(=C\2/C=C(C=CC2=N1)Cl)/C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C17H14ClN3O.ClH/c1-19-16-9-10-21(22)17(12-5-3-2-4-6-12)14-11-13(18)7-8-15(14)20-16;/h2-11,22H,1H3;1H/b10-9-,17-14-,19-16?,20-15?;