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Quinidinone
MNXM4095 is deprecated and here replaced by MNXM735609
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM735609 |
 |
| reference | chebi:80688 |
| formula | C20H22N2O2 |
| global charge | 0 |
| mol weight | 322.408 |
| InChIKey | SRFCUPVBYYAMIL-UHFFFAOYSA-N |
| InChI | InChI=1S/C20H22N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19H,1,7,9-10,12H2,2H3 |
| SMILES | C=C[C@@H]1CN2CCC1CC2C(=O)C1=CC=NC2=CC=C(OC)C=C21 |
MNX internals
| InChI (mnx) | InChI=1/C20H22N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19H,1,7,9-10,12H2,2H3/t13?,14?,19? |
 |
| SMILES (mnx) | [CH2:1]=[CH:3][CH:13]1[CH2:12][N:22]2[CH2:9][CH2:7][CH:14]1[CH2:10][CH:19]2[C:20]([C:16]1=[CH:6][CH:8]=[N:21][C:18]2=[C:17]1[CH:11]=[C:15]([O:24][CH3:2])[CH:4]=[CH:5]2)=[O:23] |
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| 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
| Identifier | Description |
|---|
CHEBI:80688
chebi:80688
SRFCUPVBYYAMIL-UHFFFAOYSA-N
| Quinidinone
|