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1-[(1R)-1'-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone

PropertiesImage
MNX_IDMNXM338697 Image of MNXM338697
referencechebi:130655
formulaC26H30FN3O3
global charge0
mol weight451.542
InChIKeyFTACQXCIEUQBTI-QFIPXVFZSA-N
InChIInChI=1S/C26H30FN3O3/c1-4-23(32)30-16-26(14-29(15-26)12-17-5-7-18(27)8-6-17)24-20-10-9-19(33-3)11-21(20)28(2)25(24)22(30)13-31/h5-11,22,31H,4,12-16H2,1-3H3/t22-/m0/s1
SMILESCCC(=O)N1CC2(CN(CC3=CC=C(F)C=C3)C2)C2=C([C@@H]1CO)N(C)C1=C2C=CC(OC)=C1
MNX internals
InChI (mnx)InChI=1/C26H30FN3O3/c1-4-23(32)30-16-26(14-29(15-26)12-17-5-7-18(27)8-6-17)24-20-10-9-19(33-3)11-21(20)28(2)25(24)22(30)13-31/h5-11,22,31H,4,12-16H2,1-3H3/t22-/m0/s1 Image of MNXM338697
SMILES (mnx)[CH3:1][CH2:4][C:23]([N:30]1[CH2:16][C:26]2([CH2:14][N:29]([CH2:12][C:17]3=[CH:6][CH:8]=[C:18]([F:27])[CH:7]=[CH:5]3)[CH2:15]2)[C:24]2=[C:25]([C@@H:22]1[CH2:13][OH:31])[N:28]([CH3:2])[C:21]1=[C:20]2[CH:10]=[CH:9][C:19]([O:33][CH3:3])=[CH:11]1)=[O:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:130655
chebi:130655
FTACQXCIEUQBTI-QFIPXVFZSA-N
1-[(1R)-1'-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone