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

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-phenylethyl)pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-phenylethyl)pyrazole-3-carboxamide CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(1-phenylethyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-phenylethyl)pyrazole-3-carboxamide Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-phenylethyl)pyrazole-3-carboxamide Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O3/c1-12(15-7-5-4-6-8-15)19-18(25)16-9-10-22(21-16)11-23-14(3)17(24(26)27)13(2)20-23/h4-10,12H,11H2,1-3H3,(H,19,25)