(3E)-7-bromanyl-5-(2-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-4H-1,4-benzodiazepin-1-ium-2-one

Systemtic Name: (3E)-7-bromanyl-5-(2-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-4H-1,4-benzodiazepin-1-ium-2-one Openeye Name: (3E)-7-bromo-5-(2-chlorophenyl)-3-[(4-methoxyphenyl)methylene]-4H-1,4-benzodiazepin-1-ium-2-one CAS Name: (3E)-7-bromo-5-(2-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-4H-1,4-benzodiazepin-1-ium-2-one IUPAC Name: (3E)-7-bromo-5-(2-chlorophenyl)-3-[(4-methoxyphenyl)methylidene]-4H-1,4-benzodiazepin-1-ium-2-one Traditional Name: (3E)-7-bromo-5-(2-chlorophenyl)-3-p-anisylidene-4H-1,4-benzodiazepin-1-ium-2-one Formula: C23H17BrClN2O2+ MolecularWeight: 468.75028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2C(=O)[NH+]=C3C=CC(=CC3=C(N2)C4=CC=CC=C4Cl)Br

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/2\C(=O)[NH+]=C3C=CC(=CC3=C(N2)C4=CC=CC=C4Cl)Br

InChI

InChI=1S/C23H16BrClN2O2/c1-29-16-9-6-14(7-10-16)12-21-23(28)27-20-11-8-15(24)13-18(20)22(26-21)17-4-2-3-5-19(17)25/h2-13,26H,1H3/p+1/b21-12+