N-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]adamantane-1-carboxamide Openeye Name: N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]adamantane-1-carboxamide CAS Name: N-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1-adamantanecarboxamide IUPAC Name: N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]adamantane-1-carboxamide Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H31N5O2/c28-19(26-6-8-27(9-7-26)21-24-3-1-4-25-21)2-5-23-20(29)22-13-16-10-17(14-22)12-18(11-16)15-22/h1,3-4,16-18H,2,5-15H2,(H,23,29)