2-[3-[(4-bromanyl-5-ethyl-3-prop-1-ynyl-thiophen-2-yl)methylamino]propylamino]-1H-quinolin-4-one

Systemtic Name: 2-[3-[(4-bromanyl-5-ethyl-3-prop-1-ynyl-thiophen-2-yl)methylamino]propylamino]-1H-quinolin-4-one Openeye Name: 2-[3-[(4-bromo-5-ethyl-3-prop-1-ynyl-2-thienyl)methylamino]propylamino]-1H-quinolin-4-one CAS Name: 2-[3-[(4-bromo-5-ethyl-3-prop-1-ynyl-2-thiophenyl)methylamino]propylamino]-1H-quinolin-4-one IUPAC Name: 2-[3-[(4-bromo-5-ethyl-3-prop-1-ynylthiophen-2-yl)methylamino]propylamino]-1H-quinolin-4-one Traditional Name: 2-[3-[(4-bromo-5-ethyl-3-prop-1-ynyl-2-thienyl)methylamino]propylamino]-4-quinolone Formula: C22H24BrN3OS MolecularWeight: 458.41446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)CNCCCNC2=CC(=O)C3=CC=CC=C3N2)C#CC)Br

Isomeric SMILES

CCC1=C(C(=C(S1)CNCCCNC2=CC(=O)C3=CC=CC=C3N2)C#CC)Br

InChI

InChI=1S/C22H24BrN3OS/c1-3-8-16-20(28-19(4-2)22(16)23)14-24-11-7-12-25-21-13-18(27)15-9-5-6-10-17(15)26-21/h5-6,9-10,13,24H,4,7,11-12,14H2,1-2H3,(H2,25,26,27)