N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(cyclopropylamino)-3-nitro-benzamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(cyclopropylamino)-3-nitro-benzamide Formula: C23H22FN7O3 MolecularWeight: 463.464283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C23H22FN7O3/c24-15-4-8-17(9-5-15)30-22(26)18(13-25)19(29-30)2-1-11-27-23(32)14-3-10-20(28-16-6-7-16)21(12-14)31(33)34/h3-5,8-10,12,16,28H,1-2,6-7,11,26H2,(H,27,32)