tert-butyl 4-(phenylcarbamoyl)-3-(pyridin-3-yloxymethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(phenylcarbamoyl)-3-(pyridin-3-yloxymethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(phenylcarbamoyl)-3-(3-pyridyloxymethyl)piperazine-1-carboxylate CAS Name: 4-[anilino(oxo)methyl]-3-(3-pyridinyloxymethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(phenylcarbamoyl)-3-(pyridin-3-yloxymethyl)piperazine-1-carboxylate Traditional Name: 4-(phenylcarbamoyl)-3-(3-pyridyloxymethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)COC2=CN=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)COC2=CN=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4/c1-22(2,3)30-21(28)25-12-13-26(20(27)24-17-8-5-4-6-9-17)18(15-25)16-29-19-10-7-11-23-14-19/h4-11,14,18H,12-13,15-16H2,1-3H3,(H,24,27)