1-(5-cyanopyridin-2-yl)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-cyanopyridin-2-yl)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-4-carboxamide Openeye Name: 1-(5-cyano-2-pyridyl)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-4-carboxamide CAS Name: 1-(5-cyano-2-pyridinyl)-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-cyanopyridin-2-yl)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-4-carboxamide Traditional Name: 1-(5-cyano-2-pyridyl)-N-[4-(isovalerylamino)phenyl]isonipecotamide Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C23H27N5O2/c1-16(2)13-22(29)26-19-4-6-20(7-5-19)27-23(30)18-9-11-28(12-10-18)21-8-3-17(14-24)15-25-21/h3-8,15-16,18H,9-13H2,1-2H3,(H,26,29)(H,27,30)