[(3S,4R)-4-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-pyrrolidin-3-yl]-[3-chloranyl-2-methyl-5-[2-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanone

Systemtic Name: [(3S,4R)-4-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-pyrrolidin-3-yl]-[3-chloranyl-2-methyl-5-[2-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanone Openeye Name: [(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[3-chloro-2-methyl-5-[1-methyl-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanone CAS Name: [(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)-3-pyrrolidinyl]-[3-chloro-2-methyl-5-[2-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1'-spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]yl]methanone IUPAC Name: [(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[3-chloro-2-methyl-5-[2-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanone Traditional Name: [(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]-[3-chloro-2-methyl-5-[1-methyl-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]-1'-yl]methanone Formula: C33H41ClF2N6O2 MolecularWeight: 627.167446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(OC3(C2=N1)CCN(CC3)C(=O)C4CN(CC4C5=C(C=C(C=C5)F)F)C(C)(C)C)C(C)(C)C6=NC=NN6C)Cl

Isomeric SMILES

CC1=C(C=C2C(OC3(C2=N1)CCN(CC3)C(=O)[C@@H]4CN(C[C@H]4C5=C(C=C(C=C5)F)F)C(C)(C)C)C(C)(C)C6=NC=NN6C)Cl

InChI

InChI=1S/C33H41ClF2N6O2/c1-19-25(34)15-22-27(39-19)33(44-28(22)32(5,6)30-37-18-38-40(30)7)10-12-41(13-11-33)29(43)24-17-42(31(2,3)4)16-23(24)21-9-8-20(35)14-26(21)36/h8-9,14-15,18,23-24,28H,10-13,16-17H2,1-7H3/t23-,24+,28?/m0/s1