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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[2-(1-pyrrolidinyl)phenyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-pyrrolidinophenyl)benzamide Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N4CCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N4CCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O3/c1-16-22(28(30)31)17(2)27(25-16)15-18-9-11-19(12-10-18)23(29)24-20-7-3-4-8-21(20)26-13-5-6-14-26/h3-4,7-12H,5-6,13-15H2,1-2H3,(H,24,29)