tert-butyl 3-[[1-[(2-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[[1-[(2-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[[2-(2-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-(2-fluoro-4-methylanilino)-1-oxopropan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[[2-(2-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H30FN3O4 MolecularWeight: 455.521803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C)F

InChI

InChI=1S/C25H30FN3O4/c1-15-10-11-20(19(26)12-15)28-22(30)16(2)27-23(31)21-13-17-8-6-7-9-18(17)14-29(21)24(32)33-25(3,4)5/h6-12,16,21H,13-14H2,1-5H3,(H,27,31)(H,28,30)