(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[(5-phenyl-3-isoxazolyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

Properties Image MNX_ID MNXM169655 reference chebi:127486 formula C32H30FN5O4 global charge 0 mol weight 567.621 InChIKey YZVPRKUXZVQLBH-MHZLTWQESA-N InChI InChI=1S/C32H30FN5O4/c1-41-24-11-12-25-26(14-24)35-30-27(16-39)38(31(40)34-22-9-7-21(33)8-10-22)19-32(29(25)30)17-37(18-32)15-23-13-28(42-36-23)20-5-3-2-4-6-20/h2-14,27,35,39H,15-19H2,1H3,(H,34,40)/t27-/m0/s1 SMILES COC1=CC2=C(C=C1)C1=C(N2)[C@H](CO)N(C(=O)NC2=CC=C(F)C=C2)CC12CN(CC1=NOC(C3=CC=CC=C3)=C1)C2 MNX internals InChI (mnx) InChI=1/C32H30FN5O4/c1-41-24-11-12-25-26(14-24)35-30-27(16-39)38(31(40)34-22-9-7-21(33)8-10-22)19-32(29(25)30)17-37(18-32)15-23-13-28(42-36-23)20-5-3-2-4-6-20/h2-14,27,35,39H,15-19H2,1H3,(H,34,40)/t27-/m0/s1 SMILES (mnx) [CH3:1][O:41][C:24]1=[CH:14][C:26]2=[C:25]([CH:12]=[CH:11]1)[C:29]1=[C:30]([C@H:27]([CH2:16][OH:39])[N:38]([C:31]([NH:34][C:22]3=[CH:10][CH:8]=[C:21]([F:33])[CH:7]=[CH:9]3)=[O:40])[CH2:19][C:32]13[CH2:17][N:37]([CH2:15][C:23]1=[N:36][O:42][C:28]([C:20]4=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]4)=[CH:13]1)[CH2:18]3)[NH:35]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0