N-[(2S)-1-[4-(2-bromanyl-4-fluoranyl-phenoxy)piperidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-oxidanylidene-4H-quinoxaline-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-(2-bromanyl-4-fluoranyl-phenoxy)piperidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-oxidanylidene-4H-quinoxaline-2-carboxamide Openeye Name: N-[(1S)-1-[4-(2-bromo-4-fluoro-phenoxy)piperidine-1-carbonyl]-2-methyl-propyl]-3-oxo-4H-quinoxaline-2-carboxamide CAS Name: N-[(2S)-1-[4-(2-bromo-4-fluorophenoxy)-1-piperidinyl]-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide IUPAC Name: N-[(2S)-1-[4-(2-bromo-4-fluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-oxo-4H-quinoxaline-2-carboxamide Traditional Name: N-[(1S)-1-[4-(2-bromo-4-fluoro-phenoxy)piperidine-1-carbonyl]-2-methyl-propyl]-3-keto-4H-quinoxaline-2-carboxamide Formula: C25H26BrFN4O4 MolecularWeight: 545.400743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)OC2=C(C=C(C=C2)F)Br)NC(=O)C3=NC4=CC=CC=C4NC3=O

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC(CC1)OC2=C(C=C(C=C2)F)Br)NC(=O)C3=NC4=CC=CC=C4NC3=O

InChI

InChI=1S/C25H26BrFN4O4/c1-14(2)21(30-24(33)22-23(32)29-19-6-4-3-5-18(19)28-22)25(34)31-11-9-16(10-12-31)35-20-8-7-15(27)13-17(20)26/h3-8,13-14,16,21H,9-12H2,1-2H3,(H,29,32)(H,30,33)/t21-/m0/s1