1-benzo[b][1]benzazepin-11-yl-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone

Systemtic Name: 1-benzo[b][1]benzazepin-11-yl-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Openeye Name: 1-benzo[b][1]benzazepin-11-yl-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 1-(11-benzo[b][1]benzazepinyl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-benzo[b][1]benzazepin-11-yl-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-benzo[b][1]benzazepin-11-yl-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C42)C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3/c1-14-21(25(27)28)15(2)23(22-14)13-20(26)24-18-9-5-3-7-16(18)11-12-17-8-4-6-10-19(17)24/h3-12H,13H2,1-2H3