N-[(4-tert-butylphenyl)methyl]-N-methyl-1-pyrimidin-2-yl-piperidine-3-carboxamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-1-pyrimidin-2-yl-piperidine-3-carboxamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-1-pyrimidin-2-yl-piperidine-3-carboxamide CAS Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-1-(2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide Traditional Name: N-(4-tert-butylbenzyl)-N-methyl-1-(2-pyrimidyl)nipecotamide Formula: C22H30N4O MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)C2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C)C(=O)C2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C22H30N4O/c1-22(2,3)19-10-8-17(9-11-19)15-25(4)20(27)18-7-5-14-26(16-18)21-23-12-6-13-24-21/h6,8-13,18H,5,7,14-16H2,1-4H3