(3S)-1-[[2-(6-cyclopentyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-[[2-(6-cyclopentyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[[2-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]piperidine-3-carboxamide CAS Name: (3S)-1-[[2-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[[2-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[2-(6-cyclopentyl-4-keto-1H-pyrimidin-2-yl)benzyl]nipecotamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=CC(=O)N=C(N2)C3=CC=CC=C3CN4CCCC(C4)C(=O)N

Isomeric SMILES

C1CCC(C1)C2=CC(=O)N=C(N2)C3=CC=CC=C3CN4CCC[C@@H](C4)C(=O)N

InChI

InChI=1S/C22H28N4O2/c23-21(28)17-9-5-11-26(14-17)13-16-8-3-4-10-18(16)22-24-19(12-20(27)25-22)15-6-1-2-7-15/h3-4,8,10,12,15,17H,1-2,5-7,9,11,13-14H2,(H2,23,28)(H,24,25,27)/t17-/m0/s1