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

Systemtic Name: (3Z,6Z)-8-chloranyl-4-ethyl-N-methyl-5-oxidanyl-6-phenyl-1,5-benzodiazocin-2-imine hydrochloride Openeye Name: (3Z,6Z)-8-chloro-4-ethyl-5-hydroxy-N-methyl-6-phenyl-1,5-benzodiazocin-2-imine hydrochloride CAS Name: (3Z,6Z)-8-chloro-4-ethyl-5-hydroxy-N-methyl-6-phenyl-1,5-benzodiazocin-2-imine hydrochloride IUPAC Name: (3Z,6Z)-8-chloro-4-ethyl-5-hydroxy-N-methyl-6-phenyl-1,5-benzodiazocin-2-imine hydrochloride Traditional Name: [(3Z,6Z)-8-chloro-4-ethyl-5-hydroxy-6-phenyl-1,5-benzodiazocin-2-ylidene]-methyl-amine hydrochloride Formula: C19H19Cl2N3O MolecularWeight: 376.27966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O.ClH/c1-3-15-12-18(21-2)22-17-10-9-14(20)11-16(17)19(23(15)24)13-7-5-4-6-8-13;/h4-12,24H,3H2,1-2H3;1H/b15-12-,19-16-,21-18?,22-17?;