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

Systemtic Name: N-(4-ethylphenyl)-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-anilinopyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-4-carboxamide CAS Name: 1-(4-anilino-2-pyrimidinyl)-N-(4-ethylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-anilinopyrimidin-2-yl)-N-(4-ethylphenyl)piperidine-4-carboxamide Traditional Name: 1-(4-anilinopyrimidin-2-yl)-N-(4-ethylphenyl)isonipecotamide Formula: C24H27N5O MolecularWeight: 401.50408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O/c1-2-18-8-10-21(11-9-18)27-23(30)19-13-16-29(17-14-19)24-25-15-12-22(28-24)26-20-6-4-3-5-7-20/h3-12,15,19H,2,13-14,16-17H2,1H3,(H,27,30)(H,25,26,28)