4-(dimethylamino)-N-[1-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]-3-nitro-benzamide

Systemtic Name: 4-(dimethylamino)-N-[1-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-[1-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[1-[1-(4-fluorophenyl)-5-methyl-4-pyrazolyl]ethyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-[1-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]-3-nitro-benzamide Formula: C21H22FN5O3 MolecularWeight: 411.429483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)F)C(C)NC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C(C)NC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN5O3/c1-13(18-12-23-26(14(18)2)17-8-6-16(22)7-9-17)24-21(28)15-5-10-19(25(3)4)20(11-15)27(29)30/h5-13H,1-4H3,(H,24,28)