N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-homoveratryl-2-(4-nitropyrazol-1-yl)butyramide Formula: C17H22N4O5 MolecularWeight: 362.38038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)N2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)N2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O5/c1-4-14(20-11-13(10-19-20)21(23)24)17(22)18-8-7-12-5-6-15(25-2)16(9-12)26-3/h5-6,9-11,14H,4,7-8H2,1-3H3,(H,18,22)