2-[4-ethyl-5-[(4-fluorophenyl)methyl]-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]ethanenitrile

Systemtic Name: 2-[4-ethyl-5-[(4-fluorophenyl)methyl]-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]ethanenitrile Openeye Name: 2-[4-ethyl-5-[(4-fluorophenyl)methyl]-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]acetonitrile CAS Name: 2-[4-ethyl-5-[(4-fluorophenyl)methyl]-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]acetonitrile IUPAC Name: 2-[4-ethyl-5-[(4-fluorophenyl)methyl]-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]acetonitrile Traditional Name: 2-[4-ethyl-5-(4-fluorobenzyl)-6-(4-propionylpiperazino)pyrimidin-2-yl]acetonitrile Formula: C22H26FN5O MolecularWeight: 395.473143

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)CC)CC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)CC)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN5O/c1-3-19-18(15-16-5-7-17(23)8-6-16)22(26-20(25-19)9-10-24)28-13-11-27(12-14-28)21(29)4-2/h5-8H,3-4,9,11-15H2,1-2H3