3-acetamido-4-bromanyl-N-(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1H-pyrazole-5-carboxamide

Systemtic Name: 3-acetamido-4-bromanyl-N-(2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1H-pyrazole-5-carboxamide Openeye Name: 3-acetamido-4-bromo-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1H-pyrazole-5-carboxamide CAS Name: 3-acetamido-4-bromo-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1H-pyrazole-5-carboxamide IUPAC Name: 3-acetamido-4-bromo-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1H-pyrazole-5-carboxamide Traditional Name: 3-acetamido-4-bromo-N-(2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-1H-pyrazole-5-carboxamide Formula: C21H17BrN6O3 MolecularWeight: 481.30208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NNC(=C1Br)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=NNC(=C1Br)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H17BrN6O3/c1-11(29)23-18-15(22)17(27-28-18)20(30)26-19-21(31)24-14-10-6-5-9-13(14)16(25-19)12-7-3-2-4-8-12/h2-10,19H,1H3,(H,24,31)(H,26,30)(H2,23,27,28,29)