(1S,5R)-7-[4-(2-methylphenyl)phenyl]-N-propyl-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide

Properties Image MNX_ID MNXM170027 reference chebi:125001 formula C22H27N3O global charge 0 mol weight 349.478 InChIKey FHCHSUYKGBLCHD-WCRBZPEASA-N InChI InChI=1S/C22H27N3O/c1-3-12-23-22(26)25-13-19-21(20(14-25)24-19)17-10-8-16(9-11-17)18-7-5-4-6-15(18)2/h4-11,19-21,24H,3,12-14H2,1-2H3,(H,23,26)/t19-,20+,21? SMILES CCCNC(=O)N1C[C@@H]2N[C@H](C1)C2C1=CC=C(C2=CC=CC=C2C)C=C1 MNX internals InChI (mnx) InChI=1/C22H27N3O/c1-3-12-23-22(26)25-13-19-21(20(14-25)24-19)17-10-8-16(9-11-17)18-7-5-4-6-15(18)2/h4-11,19-21,24H,3,12-14H2,1-2H3,(H,23,26)/t19-,20+,21? SMILES (mnx) [CH3:1][CH2:3][CH2:12][N:23]=[C:22]([N:25]1[CH2:13][C@H:19]2[CH:21]([C:17]3=[CH:11][CH:9]=[C:16]([C:18]4=[CH:7][CH:5]=[CH:4][CH:6]=[C:15]4[CH3:2])[CH:8]=[CH:10]3)[C@@H:20]([CH2:14]1)[NH:24]2)[OH:26]

Parent-child relations graph

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