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

Systemtic Name: 6-chloranyl-2-(5-ethylthiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide Openeye Name: 6-chloro-2-(5-ethyl-2-thienyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide CAS Name: 6-chloro-2-(5-ethyl-2-thiophenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide IUPAC Name: 6-chloro-2-(5-ethylthiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide Traditional Name: 6-chloro-2-(5-ethyl-2-thienyl)-N-[(1-methylpyrazol-4-yl)methyl]cinchoninamide Formula: C21H19ClN4OS MolecularWeight: 410.91976

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4OS/c1-3-15-5-7-20(28-15)19-9-17(16-8-14(22)4-6-18(16)25-19)21(27)23-10-13-11-24-26(2)12-13/h4-9,11-12H,3,10H2,1-2H3,(H,23,27)