(3Z,6Z)-8-chloranyl-N,4-dimethyl-5-oxidanyl-6-phenyl-1,5-benzodiazocin-2-imine hydrochloride

Systemtic Name: (3Z,6Z)-8-chloranyl-N,4-dimethyl-5-oxidanyl-6-phenyl-1,5-benzodiazocin-2-imine hydrochloride Openeye Name: (3Z,6Z)-8-chloro-5-hydroxy-N,4-dimethyl-6-phenyl-1,5-benzodiazocin-2-imine hydrochloride CAS Name: (3Z,6Z)-8-chloro-5-hydroxy-N,4-dimethyl-6-phenyl-1,5-benzodiazocin-2-imine hydrochloride IUPAC Name: (3Z,6Z)-8-chloro-5-hydroxy-N,4-dimethyl-6-phenyl-1,5-benzodiazocin-2-imine hydrochloride Traditional Name: [(3Z,6Z)-8-chloro-5-hydroxy-4-methyl-6-phenyl-1,5-benzodiazocin-2-ylidene]-methyl-amine hydrochloride Formula: C18H17Cl2N3O MolecularWeight: 362.25308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)Cl.Cl

Isomeric SMILES

C/C/1=C/C(=NC)N=C\2C=CC(=C/C2=C(/N1O)\C3=CC=CC=C3)Cl.Cl

InChI

InChI=1S/C18H16ClN3O.ClH/c1-12-10-17(20-2)21-16-9-8-14(19)11-15(16)18(22(12)23)13-6-4-3-5-7-13;/h3-11,23H,1-2H3;1H/b12-10-,18-15-,20-17?,21-16?;