methyl 6-(2-isocyanoethyl)-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate

Systemtic Name: methyl 6-(2-isocyanoethyl)-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate Openeye Name: methyl 6-(2-isocyanoethyl)-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate CAS Name: 6-(2-isocyanoethyl)-2-(3-methyl-4-imidazolyl)-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-(2-isocyanoethyl)-2-(3-methylimidazol-4-yl)quinoline-4-carboxylate Traditional Name: 6-(2-isocyanoethyl)-2-(3-methylimidazol-4-yl)cinchoninic acid methyl ester Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C2=NC3=C(C=C(C=C3)CC[N+]#[C-])C(=C2)C(=O)OC

Isomeric SMILES

CN1C=NC=C1C2=NC3=C(C=C(C=C3)CC[N+]#[C-])C(=C2)C(=O)OC

InChI

InChI=1S/C18H16N4O2/c1-19-7-6-12-4-5-15-13(8-12)14(18(23)24-3)9-16(21-15)17-10-20-11-22(17)2/h4-5,8-11H,6-7H2,2-3H3