(E)-3-(2-chlorophenyl)-N-[2-methyl-4-(octylamino)quinolin-6-yl]prop-2-enamide

Systemtic Name: (E)-3-(2-chlorophenyl)-N-[2-methyl-4-(octylamino)quinolin-6-yl]prop-2-enamide Openeye Name: (E)-3-(2-chlorophenyl)-N-[2-methyl-4-(octylamino)-6-quinolyl]prop-2-enamide CAS Name: (E)-3-(2-chlorophenyl)-N-[2-methyl-4-(octylamino)-6-quinolinyl]-2-propenamide IUPAC Name: (E)-3-(2-chlorophenyl)-N-[2-methyl-4-(octylamino)quinolin-6-yl]prop-2-enamide Traditional Name: (E)-3-(2-chlorophenyl)-N-[2-methyl-4-(octylamino)-6-quinolyl]acrylamide Formula: C27H32ClN3O MolecularWeight: 450.01548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=CC(=NC2=C1C=C(C=C2)NC(=O)C=CC3=CC=CC=C3Cl)C

Isomeric SMILES

CCCCCCCCNC1=CC(=NC2=C1C=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3Cl)C

InChI

InChI=1S/C27H32ClN3O/c1-3-4-5-6-7-10-17-29-26-18-20(2)30-25-15-14-22(19-23(25)26)31-27(32)16-13-21-11-8-9-12-24(21)28/h8-9,11-16,18-19H,3-7,10,17H2,1-2H3,(H,29,30)(H,31,32)/b16-13+