10-(2-iodanylethanoyl)-1,3-dimethyl-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one

Systemtic Name: 10-(2-iodanylethanoyl)-1,3-dimethyl-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Openeye Name: 10-(2-iodoacetyl)-1,3-dimethyl-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one CAS Name: 10-(2-iodo-1-oxoethyl)-1,3-dimethyl-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one IUPAC Name: 10-(2-iodoacetyl)-1,3-dimethyl-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Traditional Name: 10-(2-iodoacetyl)-1,3-dimethyl-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Formula: C14H13IN4O2 MolecularWeight: 396.18309

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N(C3=CC=CC=C3NC2=O)C(=O)CI)C

Isomeric SMILES

CC1=NN(C2=C1N(C3=CC=CC=C3NC2=O)C(=O)CI)C

InChI

InChI=1S/C14H13IN4O2/c1-8-12-13(18(2)17-8)14(21)16-9-5-3-4-6-10(9)19(12)11(20)7-15/h3-6H,7H2,1-2H3,(H,16,21)