N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-2-(1-ethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-2-(1-ethylpyrazol-4-yl)cinchoninamide Formula: C28H29N5OS MolecularWeight: 483.62776

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC(=CS4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC(=CS4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C28H29N5OS/c1-2-33-15-20(14-29-33)24-10-22(21-5-3-4-6-23(21)30-24)26(34)32-27-31-25(16-35-27)28-11-17-7-18(12-28)9-19(8-17)13-28/h3-6,10,14-19H,2,7-9,11-13H2,1H3,(H,31,32,34)