5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

Properties Image MNX_ID MNXM127723 reference chebi:94837 formula C38H40N4 global charge 0 mol weight 552.766 InChIKey ITXNFTVFLSJYOO-UHFFFAOYSA-N InChI InChI=1S/2C19H20N2/c2*1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2*2-10H,11-14H2,1H3 SMILES CN1CCC2=C(C1)C1=CC=CC=C1N2CC1=CC=CC=C1.CN1CCC2=C(C1)C1=CC=CC=C1N2CC1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/2C19H20N2/c2*1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2*2-10H,11-14H2,1H3 SMILES (mnx) [CH3:1][N:20]1[CH2:12][CH2:11][C:19]2=[C:17]([CH2:14]1)[C:16]1=[CH:9][CH:5]=[CH:6][CH:10]=[C:18]1[N:21]2[CH2:13][C:15]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1.[CH3:22][N:41]1[CH2:33][CH2:32][C:40]2=[C:38]([CH2:35]1)[C:37]1=[CH:30][CH:26]=[CH:27][CH:31]=[C:39]1[N:42]2[CH2:34][C:36]1=[CH:28][CH:24]=[CH:23][CH:25]=[CH:29]1

Parent-child relations graph

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