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

Systemtic Name: tert-butyl 3-[4-[(2-fluoranyl-4-methyl-phenyl)carbamoyl]piperidin-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[4-[(2-fluoro-4-methyl-phenyl)carbamoyl]piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[4-[(2-fluoro-4-methylanilino)-oxomethyl]-1-piperidinyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[(2-fluoro-4-methylphenyl)carbamoyl]piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[4-[(2-fluoro-4-methyl-phenyl)carbamoyl]piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C28H34FN3O4 MolecularWeight: 495.585663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3CC4=CC=CC=C4CN3C(=O)OC(C)(C)C)F

InChI

InChI=1S/C28H34FN3O4/c1-18-9-10-23(22(29)15-18)30-25(33)19-11-13-31(14-12-19)26(34)24-16-20-7-5-6-8-21(20)17-32(24)27(35)36-28(2,3)4/h5-10,15,19,24H,11-14,16-17H2,1-4H3,(H,30,33)