4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(8-methylquinolin-5-yl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(8-methylquinolin-5-yl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(8-methyl-5-quinolyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(8-methyl-5-quinolinyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(8-methylquinolin-5-yl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(8-methyl-5-quinolyl)benzamide Formula: C23H21N5O3 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NC(=O)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)NC(=O)C3=CC=C(C=C3)CN4C(=C(C(=N4)C)[N+](=O)[O-])C)C=CC=N2

InChI

InChI=1S/C23H21N5O3/c1-14-6-11-20(19-5-4-12-24-21(14)19)25-23(29)18-9-7-17(8-10-18)13-27-16(3)22(28(30)31)15(2)26-27/h4-12H,13H2,1-3H3,(H,25,29)