N-(3-ethylphenyl)-1-pyrimidin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-(3-ethylphenyl)-1-pyrimidin-2-yl-piperidine-4-carboxamide Openeye Name: N-(3-ethylphenyl)-1-pyrimidin-2-yl-piperidine-4-carboxamide CAS Name: N-(3-ethylphenyl)-1-(2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-(3-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide Traditional Name: N-(3-ethylphenyl)-1-(2-pyrimidyl)isonipecotamide Formula: C18H22N4O MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O/c1-2-14-5-3-6-16(13-14)21-17(23)15-7-11-22(12-8-15)18-19-9-4-10-20-18/h3-6,9-10,13,15H,2,7-8,11-12H2,1H3,(H,21,23)