(phenylmethyl) 1-[2,6-bis(azanyl)hexanoyl]-4-pyridin-4-yl-piperazine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[2,6-bis(azanyl)hexanoyl]-4-pyridin-4-yl-piperazine-2-carboxylate Openeye Name: benzyl 1-(2,6-diaminohexanoyl)-4-(4-pyridyl)piperazine-2-carboxylate CAS Name: 1-(2,6-diamino-1-oxohexyl)-4-pyridin-4-yl-2-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2,6-diaminohexanoyl)-4-pyridin-4-ylpiperazine-2-carboxylate Traditional Name: 1-(2,6-diaminohexanoyl)-4-(4-pyridyl)piperazine-2-carboxylic acid benzyl ester Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=CC=NC=C2)C(=O)OCC3=CC=CC=C3)C(=O)C(CCCCN)N

Isomeric SMILES

C1CN(C(CN1C2=CC=NC=C2)C(=O)OCC3=CC=CC=C3)C(=O)C(CCCCN)N

InChI

InChI=1S/C23H31N5O3/c24-11-5-4-8-20(25)22(29)28-15-14-27(19-9-12-26-13-10-19)16-21(28)23(30)31-17-18-6-2-1-3-7-18/h1-3,6-7,9-10,12-13,20-21H,4-5,8,11,14-17,24-25H2