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

Systemtic Name: 2-[3-[[4-bromanyl-5-(1-fluoranylethenyl)-3-methyl-thiophen-2-yl]methylamino]propylamino]-1H-quinolin-4-one Openeye Name: 2-[3-[[4-bromo-5-(1-fluorovinyl)-3-methyl-2-thienyl]methylamino]propylamino]-1H-quinolin-4-one CAS Name: 2-[3-[[4-bromo-5-(1-fluoroethenyl)-3-methyl-2-thiophenyl]methylamino]propylamino]-1H-quinolin-4-one IUPAC Name: 2-[3-[[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methylamino]propylamino]-1H-quinolin-4-one Traditional Name: 2-[3-[[4-bromo-5-(1-fluorovinyl)-3-methyl-2-thienyl]methylamino]propylamino]-4-quinolone Formula: C20H21BrFN3OS MolecularWeight: 450.367643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrFN3OS/c1-12-17(27-20(13(2)22)19(12)21)11-23-8-5-9-24-18-10-16(26)14-6-3-4-7-15(14)25-18/h3-4,6-7,10,23H,2,5,8-9,11H2,1H3,(H2,24,25,26)