4-bromanyl-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[1-(2-diethylaminoethyl)-2-benzimidazolyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[1-(2-diethylaminoethyl)benzimidazol-2-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C17H20BrN7O3 MolecularWeight: 450.2898

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H20BrN7O3/c1-3-23(4-2)9-10-24-12-8-6-5-7-11(12)19-17(24)20-16(26)14-13(18)15(22-21-14)25(27)28/h5-8H,3-4,9-10H2,1-2H3,(H,21,22)(H,19,20,26)