N-(2-adamantyl)-2-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-adamantyl)-2-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]propanamide Openeye Name: N-(2-adamantyl)-2-[4-(5-chloro-2-pyridyl)piperazin-1-yl]propanamide CAS Name: N-(2-adamantyl)-2-[4-(5-chloro-2-pyridinyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-adamantyl)-2-[4-(5-chloropyridin-2-yl)piperazin-1-yl]propanamide Traditional Name: N-(2-adamantyl)-2-[4-(5-chloro-2-pyridyl)piperazino]propionamide Formula: C22H31ClN4O MolecularWeight: 402.96074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C2CC3CC(C2)CC1C3)N4CCN(CC4)C5=NC=C(C=C5)Cl

Isomeric SMILES

CC(C(=O)NC1C2CC3CC(C2)CC1C3)N4CCN(CC4)C5=NC=C(C=C5)Cl

InChI

InChI=1S/C22H31ClN4O/c1-14(26-4-6-27(7-5-26)20-3-2-19(23)13-24-20)22(28)25-21-17-9-15-8-16(11-17)12-18(21)10-15/h2-3,13-18,21H,4-12H2,1H3,(H,25,28)