(E)-3-(2-chloranyl-8-methyl-quinolin-3-yl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide

Systemtic Name: (E)-3-(2-chloranyl-8-methyl-quinolin-3-yl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide Openeye Name: (E)-3-(2-chloro-8-methyl-3-quinolyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide CAS Name: (E)-3-(2-chloro-8-methyl-3-quinolinyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]-2-propenamide IUPAC Name: (E)-3-(2-chloro-8-methylquinolin-3-yl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide Traditional Name: (E)-3-(2-chloro-8-methyl-3-quinolyl)-2-cyano-N-[(1S,2S)-2-methylcyclohexyl]acrylamide Formula: C21H22ClN3O MolecularWeight: 367.87188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(=CC2=C(N=C3C(=CC=CC3=C2)C)Cl)C#N

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=C(N=C3C(=CC=CC3=C2)C)Cl)/C#N

InChI

InChI=1S/C21H22ClN3O/c1-13-6-3-4-9-18(13)24-21(26)17(12-23)11-16-10-15-8-5-7-14(2)19(15)25-20(16)22/h5,7-8,10-11,13,18H,3-4,6,9H2,1-2H3,(H,24,26)/b17-11+/t13-,18-/m0/s1