N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-1-(4-fluorobenzoyl)nipecotamide Formula: C26H27FN6O2 MolecularWeight: 474.529983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C26H27FN6O2/c27-20-12-10-18(11-13-20)26(35)32-15-5-6-19(17-32)25(34)30-14-4-9-23-22(16-28)24(29)33(31-23)21-7-2-1-3-8-21/h1-3,7-8,10-13,19H,4-6,9,14-15,17,29H2,(H,30,34)