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

Systemtic Name: N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(5-chloro-2-pyrrolidin-1-yl-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[5-chloro-2-(1-pyrrolidinyl)phenyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(5-chloro-2-pyrrolidino-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C23H24ClN5O3 MolecularWeight: 453.92136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4CCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4CCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H24ClN5O3/c1-15-22(29(31)32)16(2)28(26-15)14-17-5-7-18(8-6-17)23(30)25-20-13-19(24)9-10-21(20)27-11-3-4-12-27/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,25,30)