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

Systemtic Name: 7-chloranyl-1-methyl-3-(3-methylimidazol-3-ium-1-yl)-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-1-methyl-3-(3-methylimidazol-3-ium-1-yl)-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-1-methyl-3-(3-methyl-1-imidazol-3-iumyl)-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-1-methyl-3-(3-methylimidazol-3-ium-1-yl)-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-1-methyl-3-(3-methylimidazol-3-ium-1-yl)-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C20H18ClN4O+ MolecularWeight: 365.83612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)N3C=C[N+](=C3)C)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)N3C=C[N+](=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C20H18ClN4O/c1-23-10-11-25(13-23)19-20(26)24(2)17-9-8-15(21)12-16(17)18(22-19)14-6-4-3-5-7-14/h3-13,19H,1-2H3/q+1