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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)CN2C(=CC(=N2)C)C)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)CN2C(=CC(=N2)C)C)N3C=C(C=N3)[N+](=O)[O-]

InChI

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