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

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-nitro-4-phenylazanyl-benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-anilino-3-nitro-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-4-anilino-3-nitrobenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-anilino-3-nitrobenzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-anilino-3-nitro-benzamide Formula: C26H22FN7O3 MolecularWeight: 499.496383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=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/C26H22FN7O3/c27-18-9-11-20(12-10-18)33-25(29)21(16-28)22(32-33)7-4-14-30-26(35)17-8-13-23(24(15-17)34(36)37)31-19-5-2-1-3-6-19/h1-3,5-6,8-13,15,31H,4,7,14,29H2,(H,30,35)