N-pentyl-1-[3-(pyrimidin-2-ylamino)phenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-pentyl-1-[3-(pyrimidin-2-ylamino)phenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-pentyl-1-[3-(pyrimidin-2-ylamino)benzoyl]piperidine-4-carboxamide CAS Name: 1-[oxo-[3-(2-pyrimidinylamino)phenyl]methyl]-N-pentyl-4-piperidinecarboxamide IUPAC Name: N-pentyl-1-[3-(pyrimidin-2-ylamino)benzoyl]piperidine-4-carboxamide Traditional Name: N-amyl-1-[3-(2-pyrimidylamino)benzoyl]isonipecotamide Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

Isomeric SMILES

CCCCCNC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC=CC=N3

InChI

InChI=1S/C22H29N5O2/c1-2-3-4-11-23-20(28)17-9-14-27(15-10-17)21(29)18-7-5-8-19(16-18)26-22-24-12-6-13-25-22/h5-8,12-13,16-17H,2-4,9-11,14-15H2,1H3,(H,23,28)(H,24,25,26)