2,5-dimethyl-4-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-4-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-4-nitro-N-[4-(1-piperidylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-4-nitro-N-[4-(1-piperidinylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-4-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-4-nitro-N-[4-(piperidinomethyl)phenyl]pyrazole-3-carboxamide Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3CCCCC3)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3CCCCC3)C

InChI

InChI=1S/C18H23N5O3/c1-13-16(23(25)26)17(21(2)20-13)18(24)19-15-8-6-14(7-9-15)12-22-10-4-3-5-11-22/h6-9H,3-5,10-12H2,1-2H3,(H,19,24)