2-[8-(bromomethyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[8-(bromomethyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[8-(bromomethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[8-(bromomethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[8-(bromomethyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[8-(bromomethyl)-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C20H20BrN2O3- MolecularWeight: 416.2884

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)CBr)NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

C1C2=C(C=C(C=C2)CBr)NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C20H21BrN2O3/c21-12-15-6-7-16-13-23(9-8-14-4-2-1-3-5-14)20(26)18(11-19(24)25)22-17(16)10-15/h1-7,10,18,22H,8-9,11-13H2,(H,24,25)/p-1