2-(3-bromanylphenoxy)-N-(3-ethenyl-2-propylidene-1H-2,4-benzodiazepin-2-ium-5-ylidene)ethanamide

Systemtic Name: 2-(3-bromanylphenoxy)-N-(3-ethenyl-2-propylidene-1H-2,4-benzodiazepin-2-ium-5-ylidene)ethanamide Openeye Name: 2-(3-bromophenoxy)-N-(2-propylidene-3-vinyl-1H-2,4-benzodiazepin-2-ium-5-ylidene)acetamide CAS Name: 2-(3-bromophenoxy)-N-(3-ethenyl-2-propylidene-1H-2,4-benzodiazepin-2-ium-5-ylidene)acetamide IUPAC Name: 2-(3-bromophenoxy)-N-(3-ethenyl-2-propylidene-1H-2,4-benzodiazepin-2-ium-5-ylidene)acetamide Traditional Name: 2-(3-bromophenoxy)-N-(2-propylidene-3-vinyl-1H-2,4-benzodiazepin-2-ium-5-ylidene)acetamide Formula: C22H21BrN3O2+ MolecularWeight: 439.32504

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Descriptors Computed from Structure

Canonical SMILES:

CCC=[N+]1CC2=CC=CC=C2C(=NC(=O)COC3=CC(=CC=C3)Br)N=C1C=C

Isomeric SMILES

CCC=[N+]1CC2=CC=CC=C2C(=NC(=O)COC3=CC(=CC=C3)Br)N=C1C=C

InChI

InChI=1S/C22H21BrN3O2/c1-3-12-26-14-16-8-5-6-11-19(16)22(24-20(26)4-2)25-21(27)15-28-18-10-7-9-17(23)13-18/h4-13H,2-3,14-15H2,1H3/q+1