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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-isoquinolin-5-yl-benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(5-isoquinolyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(5-isoquinolinyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-isoquinolin-5-ylbenzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(5-isoquinolyl)benzamide Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3C=CN=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC4=C3C=CN=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O3/c1-14-21(27(29)30)15(2)26(25-14)13-16-6-8-17(9-7-16)22(28)24-20-5-3-4-18-12-23-11-10-19(18)20/h3-12H,13H2,1-2H3,(H,24,28)