6-(2-isocyanoethyl)-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)quinoline-4-carbaldehyde

Systemtic Name: 6-(2-isocyanoethyl)-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)quinoline-4-carbaldehyde Openeye Name: 6-(2-isocyanoethyl)-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)quinoline-4-carbaldehyde CAS Name: 6-(2-isocyanoethyl)-2-(3-methyl-4-imidazolyl)-7-(trifluoromethyl)-4-quinolinecarboxaldehyde IUPAC Name: 6-(2-isocyanoethyl)-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)quinoline-4-carbaldehyde Traditional Name: 6-(2-isocyanoethyl)-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)cinchoninaldehyde Formula: C18H13F3N4O MolecularWeight: 358.31723

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C2=NC3=CC(=C(C=C3C(=C2)C=O)CC[N+]#[C-])C(F)(F)F

Isomeric SMILES

CN1C=NC=C1C2=NC3=CC(=C(C=C3C(=C2)C=O)CC[N+]#[C-])C(F)(F)F

InChI

InChI=1S/C18H13F3N4O/c1-22-4-3-11-5-13-12(9-26)6-16(17-8-23-10-25(17)2)24-15(13)7-14(11)18(19,20)21/h5-10H,3-4H2,2H3