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

Systemtic Name: 2,5-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-[3-(morpholinomethyl)phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[3-(4-morpholinylmethyl)phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[3-(morpholinomethyl)phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)CN3CCOCC3)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)CN3CCOCC3)C

InChI

InChI=1S/C17H21N5O4/c1-12-15(22(24)25)16(20(2)19-12)17(23)18-14-5-3-4-13(10-14)11-21-6-8-26-9-7-21/h3-5,10H,6-9,11H2,1-2H3,(H,18,23)