6-chloranyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-ethyl-2-thienyl)quinoline-4-carboxamide CAS Name: 6-chloro-N-[(1-ethyl-4-pyrazolyl)methyl]-2-(5-ethyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: 6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-ethyl-2-thienyl)cinchoninamide Formula: C22H21ClN4OS MolecularWeight: 424.94634

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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)NCC4=CN(N=C4)CC

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NCC4=CN(N=C4)CC

InChI

InChI=1S/C22H21ClN4OS/c1-3-16-6-8-21(29-16)20-10-18(17-9-15(23)5-7-19(17)26-20)22(28)24-11-14-12-25-27(4-2)13-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,28)