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

Systemtic Name: N-[1-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[1-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[1-[1-(4-fluorophenyl)-5-methyl-4-pyrazolyl]ethyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[1-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]-4-(methylamino)-3-nitro-benzamide Formula: C20H20FN5O3 MolecularWeight: 397.402903

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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)NC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN5O3/c1-12(17-11-23-25(13(17)2)16-7-5-15(21)6-8-16)24-20(27)14-4-9-18(22-3)19(10-14)26(28)29/h4-12,22H,1-3H3,(H,24,27)