(4-cyanophenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate Openeye Name: (4-cyanophenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate CAS Name: 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate Traditional Name: 4-[(2-pyrimidylamino)methyl]piperidine-1-carboxylic acid (4-cyanobenzyl) ester Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC=CC=N2)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1CNC2=NC=CC=N2)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H21N5O2/c20-12-15-2-4-17(5-3-15)14-26-19(25)24-10-6-16(7-11-24)13-23-18-21-8-1-9-22-18/h1-5,8-9,16H,6-7,10-11,13-14H2,(H,21,22,23)