tert-butyl 2-(phenylmethoxymethyl)-4-(pyridin-4-ylcarbamoyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-(phenylmethoxymethyl)-4-(pyridin-4-ylcarbamoyl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-(benzyloxymethyl)-4-(4-pyridylcarbamoyl)piperazine-1-carboxylate CAS Name: 4-[oxo-(pyridin-4-ylamino)methyl]-2-(phenylmethoxymethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(phenylmethoxymethyl)-4-(pyridin-4-ylcarbamoyl)piperazine-1-carboxylate Traditional Name: 2-(benzoxymethyl)-4-(4-pyridylcarbamoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C23H30N4O4 MolecularWeight: 426.5087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1COCC2=CC=CC=C2)C(=O)NC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1COCC2=CC=CC=C2)C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C23H30N4O4/c1-23(2,3)31-22(29)27-14-13-26(21(28)25-19-9-11-24-12-10-19)15-20(27)17-30-16-18-7-5-4-6-8-18/h4-12,20H,13-17H2,1-3H3,(H,24,25,28)