2-[2-[(6-bromanyl-1-benzothiophen-2-yl)methylamino]propylamino]-1H-quinolin-4-one

Systemtic Name: 2-[2-[(6-bromanyl-1-benzothiophen-2-yl)methylamino]propylamino]-1H-quinolin-4-one Openeye Name: 2-[2-[(6-bromobenzothiophen-2-yl)methylamino]propylamino]-1H-quinolin-4-one CAS Name: 2-[2-[(6-bromo-1-benzothiophen-2-yl)methylamino]propylamino]-1H-quinolin-4-one IUPAC Name: 2-[2-[(6-bromo-1-benzothiophen-2-yl)methylamino]propylamino]-1H-quinolin-4-one Traditional Name: 2-[2-[(6-bromobenzothiophen-2-yl)methylamino]propylamino]-4-quinolone Formula: C21H20BrN3OS MolecularWeight: 442.372

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC(=O)C2=CC=CC=C2N1)NCC3=CC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CC(CNC1=CC(=O)C2=CC=CC=C2N1)NCC3=CC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C21H20BrN3OS/c1-13(23-12-16-8-14-6-7-15(22)9-20(14)27-16)11-24-21-10-19(26)17-4-2-3-5-18(17)25-21/h2-10,13,23H,11-12H2,1H3,(H2,24,25,26)