3-[(4-bromanyl-2-methyl-quinolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoranyl-benzaldehyde

Systemtic Name: 3-[(4-bromanyl-2-methyl-quinolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoranyl-benzaldehyde Openeye Name: 3-[(4-bromo-2-methyl-6-quinolyl)methyl-prop-2-ynyl-amino]-2-fluoro-benzaldehyde CAS Name: 3-[(4-bromo-2-methyl-6-quinolinyl)methyl-prop-2-ynylamino]-2-fluorobenzaldehyde IUPAC Name: 3-[(4-bromo-2-methylquinolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzaldehyde Traditional Name: 3-[(4-bromo-2-methyl-6-quinolyl)methyl-propargyl-amino]-2-fluoro-benzaldehyde Formula: C21H16BrFN2O MolecularWeight: 411.266943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)CN(CC#C)C3=CC=CC(=C3F)C=O)C(=C1)Br

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)CN(CC#C)C3=CC=CC(=C3F)C=O)C(=C1)Br

InChI

InChI=1S/C21H16BrFN2O/c1-3-9-25(20-6-4-5-16(13-26)21(20)23)12-15-7-8-19-17(11-15)18(22)10-14(2)24-19/h1,4-8,10-11,13H,9,12H2,2H3