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

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-(1-piperidylmethyl)phenyl]propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[4-(1-piperidinylmethyl)phenyl]propanamide IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide Traditional Name: 3-(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(=NN1CCC(=O)NC2=CC=C(C=C2)CN3CCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC=C(C=C2)CN3CCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O3/c1-15-20(25(27)28)16(2)24(22-15)13-10-19(26)21-18-8-6-17(7-9-18)14-23-11-4-3-5-12-23/h6-9H,3-5,10-14H2,1-2H3,(H,21,26)