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

Systemtic Name: 2-[4-(4-cyclopropylcarbonylpiperazin-1-yl)-6-ethyl-5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]ethanenitrile Openeye Name: 2-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-6-ethyl-5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]acetonitrile CAS Name: 2-[4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-6-ethyl-5-[(4-fluorophenyl)methyl]-2-pyrimidinyl]acetonitrile IUPAC Name: 2-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-6-ethyl-5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]acetonitrile Traditional Name: 2-[4-[4-(cyclopropanecarbonyl)piperazino]-6-ethyl-5-(4-fluorobenzyl)pyrimidin-2-yl]acetonitrile Formula: C23H26FN5O MolecularWeight: 407.483843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)C3CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)C3CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN5O/c1-2-20-19(15-16-3-7-18(24)8-4-16)22(27-21(26-20)9-10-25)28-11-13-29(14-12-28)23(30)17-5-6-17/h3-4,7-8,17H,2,5-6,9,11-15H2,1H3