2-[3-[[4-bromanyl-3-methyl-5-(trifluoromethyl)thiophen-2-yl]methylamino]propylamino]-1H-quinolin-4-one

Systemtic Name: 2-[3-[[4-bromanyl-3-methyl-5-(trifluoromethyl)thiophen-2-yl]methylamino]propylamino]-1H-quinolin-4-one Openeye Name: 2-[3-[[4-bromo-3-methyl-5-(trifluoromethyl)-2-thienyl]methylamino]propylamino]-1H-quinolin-4-one CAS Name: 2-[3-[[4-bromo-3-methyl-5-(trifluoromethyl)-2-thiophenyl]methylamino]propylamino]-1H-quinolin-4-one IUPAC Name: 2-[3-[[4-bromo-3-methyl-5-(trifluoromethyl)thiophen-2-yl]methylamino]propylamino]-1H-quinolin-4-one Traditional Name: 2-[3-[[4-bromo-3-methyl-5-(trifluoromethyl)-2-thienyl]methylamino]propylamino]-4-quinolone Formula: C19H19BrF3N3OS MolecularWeight: 474.33787

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1Br)C(F)(F)F)CNCCCNC2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=C(SC(=C1Br)C(F)(F)F)CNCCCNC2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H19BrF3N3OS/c1-11-15(28-18(17(11)20)19(21,22)23)10-24-7-4-8-25-16-9-14(27)12-5-2-3-6-13(12)26-16/h2-3,5-6,9,24H,4,7-8,10H2,1H3,(H2,25,26,27)