4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[3-(1-pyrrolidinyl)-2-quinoxalinyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-pyrrolidinoquinoxalin-2-yl)benzamide Formula: C25H25N7O3 MolecularWeight: 471.5111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4N=C3N5CCCC5)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NC4=CC=CC=C4N=C3N5CCCC5)C)[N+](=O)[O-]

InChI

InChI=1S/C25H25N7O3/c1-16-22(32(34)35)17(2)31(29-16)15-18-9-11-19(12-10-18)25(33)28-23-24(30-13-5-6-14-30)27-21-8-4-3-7-20(21)26-23/h3-4,7-12H,5-6,13-15H2,1-2H3,(H,26,28,33)