Summary
SMILES: Fc1ccc(cc1)c1ccc(cn1)NC(=NCCCCN1CCCCC1)OInChI: InChI=1S/C21H27FN4O/c22-18-8-6-17(7-9-18)20-11-10-19(16-24-20)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27)InChIKey: LMGUUVWYFJIKCD-UHFFFAOYSA-N
DeepSMILES: Fcccccc6))cccccn6))NC=NCCCCNCCCCC6)))))))))))O
Scaffold Graph/Node/Bond level: C(=NCCCCN1CCCCC1)Nc1ccc(-c2ccccc2)nc1
Scaffold Graph/Node level: C1CCC(C2CCC(NCNCCCCN3CCCCC3)CN2)CC1
Scaffold Graph level: C(CCCC1CCCCC1)CCCC1CCC(C2CCCCC2)CC1
Functional groups: CN(C)C; cF; cNC(O)=NC; cnc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Pyridines and derivatives
ClassyFire Subclass: Phenylpyridines
NP Classifier Biosynthetic pathway: Alkaloids
Synonymous chemical names:kamalin i
Chemical structure download