N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]-1-keto-2H-isoquinoline-3-carboxamide Formula: C18H14ClF3N4O2 MolecularWeight: 410.77757

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NCCNC3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)NCCNC3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C18H14ClF3N4O2/c19-13-8-11(18(20,21)22)9-25-15(13)23-5-6-24-17(28)14-7-10-3-1-2-4-12(10)16(27)26-14/h1-4,7-9H,5-6H2,(H,23,25)(H,24,28)(H,26,27)