(phenylmethyl) 4-[3-(pentan-3-ylamino)pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-(pentan-3-ylamino)pyridin-2-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[3-(1-ethylpropylamino)-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[3-(pentan-3-ylamino)-2-pyridinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(pentan-3-ylamino)pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(1-ethylpropylamino)-2-pyridyl]piperazine-1-carboxylic acid benzyl ester Formula: C22H30N4O2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(CC)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2/c1-3-19(4-2)24-20-11-8-12-23-21(20)25-13-15-26(16-14-25)22(27)28-17-18-9-6-5-7-10-18/h5-12,19,24H,3-4,13-17H2,1-2H3