2-[(E)-2-[5-chloranyl-3-methyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-[5-chloranyl-3-methyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-[5-chloro-3-methyl-1-(1-naphthylmethyl)pyrazol-4-yl]vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-[5-chloro-3-methyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-[5-chloro-3-methyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-[5-chloro-3-methyl-1-(1-naphthylmethyl)pyrazol-4-yl]vinyl]cinchoninate Formula: C27H19ClN3O2- MolecularWeight: 452.91166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC2=NC3=CC=CC=C3C(=C2)C(=O)[O-])Cl)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=NN(C(=C1/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)[O-])Cl)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H20ClN3O2/c1-17-21(14-13-20-15-24(27(32)33)23-11-4-5-12-25(23)29-20)26(28)31(30-17)16-19-9-6-8-18-7-2-3-10-22(18)19/h2-15H,16H2,1H3,(H,32,33)/p-1/b14-13+