N-[1-(1-adamantyl)pyrazol-3-yl]-6-chloranyl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[1-(1-adamantyl)pyrazol-3-yl]-6-chloranyl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-[1-(1-adamantyl)pyrazol-3-yl]-6-chloro-2-(5-ethyl-2-thienyl)quinoline-4-carboxamide CAS Name: N-[1-(1-adamantyl)-3-pyrazolyl]-6-chloro-2-(5-ethyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[1-(1-adamantyl)pyrazol-3-yl]-6-chloro-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-[1-(1-adamantyl)pyrazol-3-yl]-6-chloro-2-(5-ethyl-2-thienyl)cinchoninamide Formula: C29H29ClN4OS MolecularWeight: 517.08476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=NN(C=C4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=NN(C=C4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C29H29ClN4OS/c1-2-21-4-6-26(36-21)25-13-23(22-12-20(30)3-5-24(22)31-25)28(35)32-27-7-8-34(33-27)29-14-17-9-18(15-29)11-19(10-17)16-29/h3-8,12-13,17-19H,2,9-11,14-16H2,1H3,(H,32,33,35)