N-[(2S)-3-oxidanyl-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-4-pyren-1-yl-butanamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-[[4-(trifluoromethyl)benzyl]amino]ethyl]-4-pyren-1-yl-butyramide Formula: C31H27F3N2O3 MolecularWeight: 532.55289

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)NC(CO)C(=O)NCC5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)N[C@@H](CO)C(=O)NCC5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C31H27F3N2O3/c32-31(33,34)24-14-7-19(8-15-24)17-35-30(39)26(18-37)36-27(38)6-2-3-20-9-10-23-12-11-21-4-1-5-22-13-16-25(20)29(23)28(21)22/h1,4-5,7-16,26,37H,2-3,6,17-18H2,(H,35,39)(H,36,38)/t26-/m0/s1