clocapramine

Properties Image MNX_ID MNXM103922 reference chebi:135778 formula C28H37ClN4O global charge 0 mol weight 481.084 InChIKey QAZKXHSIKKNOHH-UHFFFAOYSA-N InChI InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34) SMILES NC(=O)C1(N2CCCCC2)CCN(CCCN2C3=CC(Cl)=CC=C3CCC3=C2C=CC=C3)CC1 MNX internals InChI (mnx) InChI=1/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34) SMILES (mnx) [CH2:1]1[CH2:4][CH2:16][N:32]([C:28]2([C:27](=[NH:30])[OH:34])[CH2:13][CH2:19][N:31]([CH2:15][CH2:6][CH2:18][N:33]3[C:25]4=[CH:8][CH:3]=[CH:2][CH:7]=[C:22]4[CH2:9][CH2:10][C:23]4=[CH:11][CH:12]=[C:24]([Cl:29])[CH:21]=[C:26]43)[CH2:20][CH2:14]2)[CH2:17][CH2:5]1

Parent-child relations graph

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