N-(2-methylbutyl)-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(2-methylbutyl)-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-anilinopyrimidin-2-yl)-N-(2-methylbutyl)piperidine-4-carboxamide CAS Name: 1-(4-anilino-2-pyrimidinyl)-N-(2-methylbutyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-anilinopyrimidin-2-yl)-N-(2-methylbutyl)piperidine-4-carboxamide Traditional Name: 1-(4-anilinopyrimidin-2-yl)-N-(2-methylbutyl)isonipecotamide Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=O)C1CCN(CC1)C2=NC=CC(=N2)NC3=CC=CC=C3

Isomeric SMILES

CCC(C)CNC(=O)C1CCN(CC1)C2=NC=CC(=N2)NC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O/c1-3-16(2)15-23-20(27)17-10-13-26(14-11-17)21-22-12-9-19(25-21)24-18-7-5-4-6-8-18/h4-9,12,16-17H,3,10-11,13-15H2,1-2H3,(H,23,27)(H,22,24,25)