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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCCN2C=C(C=N2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCCN2C=C(C=N2)[N+](=O)[O-])OC

InChI

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