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

Systemtic Name: (phenylmethyl) 3-(pentan-3-ylamino)-4-pyridin-2-yl-piperazine-1-carboxylate Openeye Name: benzyl 3-(1-ethylpropylamino)-4-(2-pyridyl)piperazine-1-carboxylate CAS Name: 3-(pentan-3-ylamino)-4-(2-pyridinyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(pentan-3-ylamino)-4-pyridin-2-ylpiperazine-1-carboxylate Traditional Name: 3-(1-ethylpropylamino)-4-(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)NC1CN(CCN1C2=CC=CC=N2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(CC)NC1CN(CCN1C2=CC=CC=N2)C(=O)OCC3=CC=CC=C3

InChI

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