| Properties | Image |
| MNX_ID | MNXM171798 |
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| reference | chebi:100882 |
| formula | C19H25N3O2 |
| global charge | 0 |
| mol weight | 327.428 |
| InChIKey | DNWBFORDJWKZCR-LMMKCTJWSA-N |
| InChI | InChI=1S/C19H25N3O2/c20-13-16-19(15-7-3-1-4-8-15)17(14-23)22(16)18(24)9-12-21-10-5-2-6-11-21/h1,3-4,7-8,16-17,19,23H,2,5-6,9-12,14H2/t16-,17-,19+/m1/s1 |
| SMILES | N#C[C@@H]1[C@H](C2=CC=CC=C2)[C@@H](CO)N1C(=O)CCN1CCCCC1 |
MNX internals
| InChI (mnx) | InChI=1/C19H25N3O2/c20-13-16-19(15-7-3-1-4-8-15)17(14-23)22(16)18(24)9-12-21-10-5-2-6-11-21/h1,3-4,7-8,16-17,19,23H,2,5-6,9-12,14H2/t16-,17-,19+/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:3][CH:7]=[C:15]([C@H:19]2[C@@H:16]([C:13]#[N:20])[N:22]([C:18]([CH2:9][CH2:12][N:21]3[CH2:10][CH2:5][CH2:2][CH2:6][CH2:11]3)=[O:24])[C@@H:17]2[CH2:14][OH:23])[CH:8]=[CH:4]1 |
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