3-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamoyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamoyl]amino]propyl-diethyl-azanium Openeye Name: 3-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluoroanilino)-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-fluorophenyl)carbamoyl]amino]propyl-diethylazanium Traditional Name: diethyl-[3-[(4-fluorophenyl)carbamoyl-[(2-keto-6,7-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=CC(=C(C=C2NC1=O)C)C)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CC[NH+](CC)CCCN(CC1=CC2=CC(=C(C=C2NC1=O)C)C)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C26H33FN4O2/c1-5-30(6-2)12-7-13-31(26(33)28-23-10-8-22(27)9-11-23)17-21-16-20-14-18(3)19(4)15-24(20)29-25(21)32/h8-11,14-16H,5-7,12-13,17H2,1-4H3,(H,28,33)(H,29,32)/p+1