ethanol; N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxidanylidene-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide

Systemtic Name: ethanol; N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxidanylidene-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide Openeye Name: ethanol; N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-(4-pyridyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide CAS Name: ethanol; N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide IUPAC Name: ethanol; N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-pyridin-4-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide Traditional Name: ethanol; N-(3-fluorophenyl)-5-keto-2,7,7-trimethyl-4-(4-pyridyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide Formula: C26H30FN3O3 MolecularWeight: 451.533103

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=NC=C3)C(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

CCO.CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=NC=C3)C(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C24H24FN3O2.C2H6O/c1-14-20(23(30)28-17-6-4-5-16(25)11-17)21(15-7-9-26-10-8-15)22-18(27-14)12-24(2,3)13-19(22)29;1-2-3/h4-11,21,27H,12-13H2,1-3H3,(H,28,30);3H,2H2,1H3