N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-2-cyclopropyl-quinoline-4-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-cyclopropyl-4-quinolinecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-cyclopropylquinoline-4-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-2-cyclopropyl-cinchoninamide Formula: C22H20BrN3O2 MolecularWeight: 438.3171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

InChI

InChI=1S/C22H20BrN3O2/c1-13-10-15(23)8-9-18(13)26-21(27)12-24-22(28)17-11-20(14-6-7-14)25-19-5-3-2-4-16(17)19/h2-5,8-11,14H,6-7,12H2,1H3,(H,24,28)(H,26,27)