7-chloranyl-3-(3-ethylimidazol-3-ium-1-yl)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one chloride

Systemtic Name: 7-chloranyl-3-(3-ethylimidazol-3-ium-1-yl)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one chloride Openeye Name: 7-chloro-3-(3-ethylimidazol-3-ium-1-yl)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one chloride CAS Name: 7-chloro-3-(3-ethyl-1-imidazol-3-iumyl)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one chloride IUPAC Name: 7-chloro-3-(3-ethylimidazol-3-ium-1-yl)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one chloride Traditional Name: 7-chloro-3-(3-ethylimidazol-3-ium-1-yl)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one chloride Formula: C21H20Cl2N4O MolecularWeight: 415.3157

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CN(C=C1)C2C(=O)N(C3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)C.[Cl-]

Isomeric SMILES

CC[N+]1=CN(C=C1)C2C(=O)N(C3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)C.[Cl-]

InChI

InChI=1S/C21H20ClN4O.ClH/c1-3-25-11-12-26(14-25)20-21(27)24(2)18-10-9-16(22)13-17(18)19(23-20)15-7-5-4-6-8-15;/h4-14,20H,3H2,1-2H3;1H/q+1;/p-1