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

Systemtic Name: (3Z,6Z)-8-chloranyl-N-methyl-5-oxidanyl-6-phenyl-4-propyl-1,5-benzodiazocin-2-imine Openeye Name: (3Z,6Z)-8-chloro-5-hydroxy-N-methyl-6-phenyl-4-propyl-1,5-benzodiazocin-2-imine CAS Name: (3Z,6Z)-8-chloro-5-hydroxy-N-methyl-6-phenyl-4-propyl-1,5-benzodiazocin-2-imine IUPAC Name: (3Z,6Z)-8-chloro-5-hydroxy-N-methyl-6-phenyl-4-propyl-1,5-benzodiazocin-2-imine Traditional Name: [(3Z,6Z)-8-chloro-5-hydroxy-6-phenyl-4-propyl-1,5-benzodiazocin-2-ylidene]-methyl-amine Formula: C20H20ClN3O MolecularWeight: 353.8453

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O/c1-3-7-16-13-19(22-2)23-18-11-10-15(21)12-17(18)20(24(16)25)14-8-5-4-6-9-14/h4-6,8-13,25H,3,7H2,1-2H3/b16-13-,20-17-,22-19?,23-18?