3-[[(2S)-2-(7-chloranyl-1-oxidanylidene-isoquinolin-2-yl)butanoyl]amino]-N-methyl-4-oxidanylidene-N-phenyl-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanamide

Systemtic Name: 3-[[(2S)-2-(7-chloranyl-1-oxidanylidene-isoquinolin-2-yl)butanoyl]amino]-N-methyl-4-oxidanylidene-N-phenyl-5-[2,3,5,6-tetrakis(fluoranyl)phenoxy]pentanamide Openeye Name: 3-[[(2S)-2-(7-chloro-1-oxo-2-isoquinolyl)butanoyl]amino]-N-methyl-4-oxo-N-phenyl-5-(2,3,5,6-tetrafluorophenoxy)pentanamide CAS Name: 3-[[(2S)-2-(7-chloro-1-oxo-2-isoquinolinyl)-1-oxobutyl]amino]-N-methyl-4-oxo-N-phenyl-5-(2,3,5,6-tetrafluorophenoxy)pentanamide IUPAC Name: 3-[[(2S)-2-(7-chloro-1-oxoisoquinolin-2-yl)butanoyl]amino]-N-methyl-4-oxo-N-phenyl-5-(2,3,5,6-tetrafluorophenoxy)pentanamide Traditional Name: 3-[[(2S)-2-(7-chloro-1-keto-2-isoquinolyl)butanoyl]amino]-4-keto-N-methyl-N-phenyl-5-(2,3,5,6-tetrafluorophenoxy)valeramide Formula: C31H26ClF4N3O5 MolecularWeight: 632.001853

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC(=O)N(C)C1=CC=CC=C1)C(=O)COC2=C(C(=CC(=C2F)F)F)F)N3C=CC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

CC[C@@H](C(=O)NC(CC(=O)N(C)C1=CC=CC=C1)C(=O)COC2=C(C(=CC(=C2F)F)F)F)N3C=CC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C31H26ClF4N3O5/c1-3-24(39-12-11-17-9-10-18(32)13-20(17)31(39)43)30(42)37-23(15-26(41)38(2)19-7-5-4-6-8-19)25(40)16-44-29-27(35)21(33)14-22(34)28(29)36/h4-14,23-24H,3,15-16H2,1-2H3,(H,37,42)/t23?,24-/m0/s1