N-methyl-7-[2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]isoquinoline-3-carboxamide

Systemtic Name: N-methyl-7-[2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]isoquinoline-3-carboxamide Openeye Name: N-methyl-7-[2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]isoquinoline-3-carboxamide CAS Name: N-methyl-7-[2-[[[4-methyl-3-(trifluoromethyl)anilino]-oxomethyl]amino]ethyl]-3-isoquinolinecarboxamide IUPAC Name: N-methyl-7-[2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]isoquinoline-3-carboxamide Traditional Name: N-methyl-7-[2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]isoquinoline-3-carboxamide Formula: C22H21F3N4O2 MolecularWeight: 430.42295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCCC2=CC3=CN=C(C=C3C=C2)C(=O)NC)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCCC2=CC3=CN=C(C=C3C=C2)C(=O)NC)C(F)(F)F

InChI

InChI=1S/C22H21F3N4O2/c1-13-3-6-17(11-18(13)22(23,24)25)29-21(31)27-8-7-14-4-5-15-10-19(20(30)26-2)28-12-16(15)9-14/h3-6,9-12H,7-8H2,1-2H3,(H,26,30)(H2,27,29,31)