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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=C(N(N=C1C)C2=CC=CC=C2)C)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NCC1=C(N(N=C1C)C2=CC=CC=C2)C)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O3/c1-4-18(23-12-16(10-21-23)25(27)28)19(26)20-11-17-13(2)22-24(14(17)3)15-8-6-5-7-9-15/h5-10,12,18H,4,11H2,1-3H3,(H,20,26)