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

Systemtic Name: 2-[4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]piperazin-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]-1-piperazinyl]-N-propylacetamide IUPAC Name: 2-[4-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]piperazin-1-yl]-N-propylacetamide Traditional Name: 2-[4-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzoyl]piperazino]-N-propyl-acetamide Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O4/c1-4-9-23-20(29)15-25-10-12-26(13-11-25)22(30)19-7-5-18(6-8-19)14-27-17(3)21(28(31)32)16(2)24-27/h5-8H,4,9-15H2,1-3H3,(H,23,29)