N-[(2S,3S)-8-fluoranyl-8-methyl-5-(4-methylpiperazin-1-yl)carbonyl-3-oxidanyl-1-phenyl-nonan-2-yl]quinoxaline-2-carboxamide

Systemtic Name: N-[(2S,3S)-8-fluoranyl-8-methyl-5-(4-methylpiperazin-1-yl)carbonyl-3-oxidanyl-1-phenyl-nonan-2-yl]quinoxaline-2-carboxamide Openeye Name: N-[(1S,2S)-1-benzyl-7-fluoro-2-hydroxy-7-methyl-4-(4-methylpiperazine-1-carbonyl)octyl]quinoxaline-2-carboxamide CAS Name: N-[(2S,3S)-8-fluoro-3-hydroxy-8-methyl-5-[(4-methyl-1-piperazinyl)-oxomethyl]-1-phenylnonan-2-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[(2S,3S)-8-fluoro-3-hydroxy-8-methyl-5-(4-methylpiperazine-1-carbonyl)-1-phenylnonan-2-yl]quinoxaline-2-carboxamide Traditional Name: N-[(1S,2S)-1-benzyl-7-fluoro-2-hydroxy-7-methyl-4-(4-methylpiperazine-1-carbonyl)octyl]quinoxaline-2-carboxamide Formula: C31H40FN5O3 MolecularWeight: 549.679403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(CC(C(CC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)N4CCN(CC4)C)F

Isomeric SMILES

CC(C)(CCC(C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)N4CCN(CC4)C)F

InChI

InChI=1S/C31H40FN5O3/c1-31(2,32)14-13-23(30(40)37-17-15-36(3)16-18-37)20-28(38)26(19-22-9-5-4-6-10-22)35-29(39)27-21-33-24-11-7-8-12-25(24)34-27/h4-12,21,23,26,28,38H,13-20H2,1-3H3,(H,35,39)/t23?,26-,28-/m0/s1