4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide Openeye Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(2-methoxy-3-dibenzofuranyl)butanamide IUPAC Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxydibenzofuran-3-yl)butanamide Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-methoxydibenzofuran-3-yl)butyramide Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-13-22(26(28)29)14(2)25(24-13)10-6-9-21(27)23-17-12-19-16(11-20(17)30-3)15-7-4-5-8-18(15)31-19/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,23,27)