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

Systemtic Name: (3Z,6Z)-8-chloranyl-4-ethyl-N-methyl-5-oxidanyl-6-phenyl-1,5-benzodiazocin-2-imine Openeye Name: (3Z,6Z)-8-chloro-4-ethyl-5-hydroxy-N-methyl-6-phenyl-1,5-benzodiazocin-2-imine CAS Name: (3Z,6Z)-8-chloro-4-ethyl-5-hydroxy-N-methyl-6-phenyl-1,5-benzodiazocin-2-imine IUPAC Name: (3Z,6Z)-8-chloro-4-ethyl-5-hydroxy-N-methyl-6-phenyl-1,5-benzodiazocin-2-imine Traditional Name: [(3Z,6Z)-8-chloro-4-ethyl-5-hydroxy-6-phenyl-1,5-benzodiazocin-2-ylidene]-methyl-amine Formula: C19H18ClN3O MolecularWeight: 339.81872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O/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/b15-12-,19-16-,21-18?,22-17?