(2S)-N-isoquinolin-5-yl-2-phenylazanyl-2-[4-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: (2S)-N-isoquinolin-5-yl-2-phenylazanyl-2-[4-(trifluoromethyl)phenyl]ethanamide Openeye Name: (2S)-2-anilino-N-(5-isoquinolyl)-2-[4-(trifluoromethyl)phenyl]acetamide CAS Name: (2S)-2-anilino-N-(5-isoquinolinyl)-2-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name: (2S)-2-anilino-N-isoquinolin-5-yl-2-[4-(trifluoromethyl)phenyl]acetamide Traditional Name: (2S)-2-anilino-N-(5-isoquinolyl)-2-[4-(trifluoromethyl)phenyl]acetamide Formula: C24H18F3N3O MolecularWeight: 421.41443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)N[C@@H](C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C24H18F3N3O/c25-24(26,27)18-11-9-16(10-12-18)22(29-19-6-2-1-3-7-19)23(31)30-21-8-4-5-17-15-28-14-13-20(17)21/h1-15,22,29H,(H,30,31)/t22-/m0/s1