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

Systemtic Name: 2-[3-[(4-bromanyl-5-cyclopropyl-3-methyl-thiophen-2-yl)methylamino]propylamino]-1H-quinolin-4-one Openeye Name: 2-[3-[(4-bromo-5-cyclopropyl-3-methyl-2-thienyl)methylamino]propylamino]-1H-quinolin-4-one CAS Name: 2-[3-[(4-bromo-5-cyclopropyl-3-methyl-2-thiophenyl)methylamino]propylamino]-1H-quinolin-4-one IUPAC Name: 2-[3-[(4-bromo-5-cyclopropyl-3-methylthiophen-2-yl)methylamino]propylamino]-1H-quinolin-4-one Traditional Name: 2-[3-[(4-bromo-5-cyclopropyl-3-methyl-2-thienyl)methylamino]propylamino]-4-quinolone Formula: C21H24BrN3OS MolecularWeight: 446.40376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1Br)C2CC2)CNCCCNC3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=C(SC(=C1Br)C2CC2)CNCCCNC3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H24BrN3OS/c1-13-18(27-21(20(13)22)14-7-8-14)12-23-9-4-10-24-19-11-17(26)15-5-2-3-6-16(15)25-19/h2-3,5-6,11,14,23H,4,7-10,12H2,1H3,(H2,24,25,26)