2-[4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]-N-ethyl-ethanamide

Systemtic Name: 2-[4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]-N-ethyl-ethanamide Openeye Name: 2-[4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]piperazin-1-yl]-N-ethyl-acetamide CAS Name: 2-[4-[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]-1-piperazinyl]-N-ethylacetamide IUPAC Name: 2-[4-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]piperazin-1-yl]-N-ethylacetamide Traditional Name: 2-[4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]piperazino]-N-ethyl-acetamide Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCNC(=O)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H28N6O4/c1-4-22-19(28)14-24-9-11-25(12-10-24)21(29)18-7-5-17(6-8-18)13-26-16(3)20(27(30)31)15(2)23-26/h5-8H,4,9-14H2,1-3H3,(H,22,28)