3-methylbutyl 3-[3-formamido-6-(4-pyridin-4-ylpiperazin-1-yl)pyridin-2-yl]propanoate

Systemtic Name: 3-methylbutyl 3-[3-formamido-6-(4-pyridin-4-ylpiperazin-1-yl)pyridin-2-yl]propanoate Openeye Name: isopentyl 3-[3-formamido-6-[4-(4-pyridyl)piperazin-1-yl]-2-pyridyl]propanoate CAS Name: 3-[3-formamido-6-(4-pyridin-4-yl-1-piperazinyl)-2-pyridinyl]propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-[3-formamido-6-(4-pyridin-4-ylpiperazin-1-yl)pyridin-2-yl]propanoate Traditional Name: 3-[3-formamido-6-[4-(4-pyridyl)piperazino]-2-pyridyl]propionic acid isoamyl ester Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CCC1=C(C=CC(=N1)N2CCN(CC2)C3=CC=NC=C3)NC=O

Isomeric SMILES

CC(C)CCOC(=O)CCC1=C(C=CC(=N1)N2CCN(CC2)C3=CC=NC=C3)NC=O

InChI

InChI=1S/C23H31N5O3/c1-18(2)9-16-31-23(30)6-4-21-20(25-17-29)3-5-22(26-21)28-14-12-27(13-15-28)19-7-10-24-11-8-19/h3,5,7-8,10-11,17-18H,4,6,9,12-16H2,1-2H3,(H,25,29)