2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-(1-piperidylmethyl)phenyl]propanamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[4-(1-piperidinylmethyl)phenyl]propanamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-(piperidinomethyl)phenyl]propionamide Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NC2=CC=C(C=C2)CN3CCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NC2=CC=C(C=C2)CN3CCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O3/c1-14-19(25(27)28)15(2)24(22-14)16(3)20(26)21-18-9-7-17(8-10-18)13-23-11-5-4-6-12-23/h7-10,16H,4-6,11-13H2,1-3H3,(H,21,26)