N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl]-2-(2-thienyl)cinchoninamide Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NCCCC4=C(C(=NN4)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NCCCC4=C(C(=NN4)N)C#N

InChI

InChI=1S/C21H18N6OS/c22-12-15-17(26-27-20(15)23)7-3-9-24-21(28)14-11-18(19-8-4-10-29-19)25-16-6-2-1-5-13(14)16/h1-2,4-6,8,10-11H,3,7,9H2,(H,24,28)(H3,23,26,27)