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

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(1-piperidylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[4-(1-piperidinylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(piperidinomethyl)phenyl]pyrazole-3-carboxamide Formula: C22H27N7O3 MolecularWeight: 437.49488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC=C(C=C3)CN4CCCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC=C(C=C3)CN4CCCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N7O3/c1-16-21(29(31)32)17(2)28(24-16)15-27-13-10-20(25-27)22(30)23-19-8-6-18(7-9-19)14-26-11-4-3-5-12-26/h6-10,13H,3-5,11-12,14-15H2,1-2H3,(H,23,30)