(E)-N-(4-azanyl-2-methyl-quinolin-6-yl)-4-(4-bromophenyl)-4-oxidanylidene-but-2-enamide

Systemtic Name: (E)-N-(4-azanyl-2-methyl-quinolin-6-yl)-4-(4-bromophenyl)-4-oxidanylidene-but-2-enamide Openeye Name: (E)-N-(4-amino-2-methyl-6-quinolyl)-4-(4-bromophenyl)-4-oxo-but-2-enamide CAS Name: (E)-N-(4-amino-2-methyl-6-quinolinyl)-4-(4-bromophenyl)-4-oxo-2-butenamide IUPAC Name: (E)-N-(4-amino-2-methylquinolin-6-yl)-4-(4-bromophenyl)-4-oxobut-2-enamide Traditional Name: (E)-N-(4-amino-2-methyl-6-quinolyl)-4-(4-bromophenyl)-4-keto-but-2-enamide Formula: C20H16BrN3O2 MolecularWeight: 410.26394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NC(=O)C=CC(=O)C3=CC=C(C=C3)Br)C(=C1)N

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NC(=O)/C=C/C(=O)C3=CC=C(C=C3)Br)C(=C1)N

InChI

InChI=1S/C20H16BrN3O2/c1-12-10-17(22)16-11-15(6-7-18(16)23-12)24-20(26)9-8-19(25)13-2-4-14(21)5-3-13/h2-11H,1H3,(H2,22,23)(H,24,26)/b9-8+