3-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(2-fluorophenyl)carbamoyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(2-fluorophenyl)carbamoyl]amino]propyl-diethyl-azanium Openeye Name: 3-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-fluorophenyl)carbamoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-fluoroanilino)-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(2-fluorophenyl)carbamoyl]amino]propyl-diethylazanium Traditional Name: diethyl-[3-[(2-fluorophenyl)carbamoyl-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]amino]propyl]ammonium Formula: C26H34FN4O2+ MolecularWeight: 453.572163

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(CC1=CC2=C(C(=C(C=C2)C)C)NC1=O)C(=O)NC3=CC=CC=C3F

Isomeric SMILES

CC[NH+](CC)CCCN(CC1=CC2=C(C(=C(C=C2)C)C)NC1=O)C(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C26H33FN4O2/c1-5-30(6-2)14-9-15-31(26(33)28-23-11-8-7-10-22(23)27)17-21-16-20-13-12-18(3)19(4)24(20)29-25(21)32/h7-8,10-13,16H,5-6,9,14-15,17H2,1-4H3,(H,28,33)(H,29,32)/p+1