1-(2-methylquinolin-4-yl)-3-[2-[3-[methyl-[[2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]amino]pyrrolidin-1-yl]ethyl]urea

Systemtic Name: 1-(2-methylquinolin-4-yl)-3-[2-[3-[methyl-[[2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]amino]pyrrolidin-1-yl]ethyl]urea Openeye Name: 1-(2-methyl-4-quinolyl)-3-[2-[3-[methyl-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]amino]pyrrolidin-1-yl]ethyl]urea CAS Name: 1-(2-methyl-4-quinolinyl)-3-[2-[3-[methyl-[[2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]amino]-1-pyrrolidinyl]ethyl]urea IUPAC Name: 1-(2-methylquinolin-4-yl)-3-[2-[3-[methyl-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]amino]pyrrolidin-1-yl]ethyl]urea Traditional Name: 1-(2-methyl-4-quinolyl)-3-[2-[3-[methyl-[[2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfonyl]amino]pyrrolidino]ethyl]urea Formula: C29H33F3N6O4S MolecularWeight: 618.67033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(C3)N(C)S(=O)(=O)C4=CC5=C(CCN(C5)C(=O)C(F)(F)F)C=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(C3)N(C)S(=O)(=O)C4=CC5=C(CCN(C5)C(=O)C(F)(F)F)C=C4

InChI

InChI=1S/C29H33F3N6O4S/c1-19-15-26(24-5-3-4-6-25(24)34-19)35-28(40)33-11-14-37-12-10-22(18-37)36(2)43(41,42)23-8-7-20-9-13-38(17-21(20)16-23)27(39)29(30,31)32/h3-8,15-16,22H,9-14,17-18H2,1-2H3,(H2,33,34,35,40)