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

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-benzamido-benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-benzamido-benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-4-benzamidobenzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-benzamidobenzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-benzamido-benzamide Formula: C27H23FN6O2 MolecularWeight: 482.508923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23FN6O2/c28-20-10-14-22(15-11-20)34-25(30)23(17-29)24(33-34)7-4-16-31-26(35)19-8-12-21(13-9-19)32-27(36)18-5-2-1-3-6-18/h1-3,5-6,8-15H,4,7,16,30H2,(H,31,35)(H,32,36)