N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methylpropanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanamide Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-homoveratryl-2-methyl-propionamide Formula: C19H26N4O5 MolecularWeight: 390.43354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NCCC2=CC(=C(C=C2)OC)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)NCCC2=CC(=C(C=C2)OC)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O5/c1-12(11-22-14(3)18(23(25)26)13(2)21-22)19(24)20-9-8-15-6-7-16(27-4)17(10-15)28-5/h6-7,10,12H,8-9,11H2,1-5H3,(H,20,24)