N-[2-oxidanylidene-2-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]amino]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]amino]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-oxo-2-[[6-(3-oxopiperazin-1-yl)-3-pyridyl]amino]ethyl]adamantane-1-carboxamide CAS Name: N-[2-oxo-2-[[6-(3-oxo-1-piperazinyl)-3-pyridinyl]amino]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-oxo-2-[[6-(3-oxopiperazin-1-yl)pyridin-3-yl]amino]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-keto-2-[[6-(3-ketopiperazino)-3-pyridyl]amino]ethyl]adamantane-1-carboxamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N5O3/c28-19(26-17-1-2-18(24-11-17)27-4-3-23-20(29)13-27)12-25-21(30)22-8-14-5-15(9-22)7-16(6-14)10-22/h1-2,11,14-16H,3-10,12-13H2,(H,23,29)(H,25,30)(H,26,28)