Summary
SMILES: COC(=O)c1cc(ccc1NC)C1CCN2C1=Nc1ccccc1C2InChI: InChI=1S/C20H21N3O2/c1-21-18-8-7-13(11-16(18)20(24)25-2)15-9-10-23-12-14-5-3-4-6-17(14)22-19(15)23/h3-8,11,15,21H,9-10,12H2,1-2H3InChIKey: UYHHGHQLVKQIQK-UHFFFAOYSA-N
DeepSMILES: COC=O)cccccc6NC)))))CCCNC5=Ncccccc6C%10
Scaffold Graph/Node/Bond level: c1ccc(C2CCN3Cc4ccccc4N=C23)cc1
Scaffold Graph/Node level: C1CCC(C2CCN3CC4CCCCC4NC23)CC1
Scaffold Graph level: C1CCC(C2CCC3CC4CCCCC4CC32)CC1
Functional groups: cC(=O)OC; cN=C(C)N(C)C; cNC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Pyrrolidines
ClassyFire Subclass: Phenylpyrrolidines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Anthranilic acid alkaloids
NP Classifier Class: Quinazoline alkaloids
Synonymous chemical names:adhatodine
External chemical identifiers:CID:5316460
Chemical structure download