N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(4-nitropyrazol-1-yl)butanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-(4-nitropyrazol-1-yl)butyramide Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CCCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O4/c1-13-17(18(26)23(21(13)2)14-7-4-3-5-8-14)20-16(25)9-6-10-22-12-15(11-19-22)24(27)28/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,20,25)