2-[5-[(3-chlorophenyl)methyl]-4-(4-cyclobutylcarbonylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]ethanenitrile

Systemtic Name: 2-[5-[(3-chlorophenyl)methyl]-4-(4-cyclobutylcarbonylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]ethanenitrile Openeye Name: 2-[5-[(3-chlorophenyl)methyl]-4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethyl-pyrimidin-2-yl]acetonitrile CAS Name: 2-[5-[(3-chlorophenyl)methyl]-4-[4-[cyclobutyl(oxo)methyl]-1-piperazinyl]-6-ethyl-2-pyrimidinyl]acetonitrile IUPAC Name: 2-[5-[(3-chlorophenyl)methyl]-4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylpyrimidin-2-yl]acetonitrile Traditional Name: 2-[5-(3-chlorobenzyl)-4-[4-(cyclobutanecarbonyl)piperazino]-6-ethyl-pyrimidin-2-yl]acetonitrile Formula: C24H28ClN5O MolecularWeight: 437.96502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)C3CCC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)C(=O)C3CCC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H28ClN5O/c1-2-21-20(16-17-5-3-8-19(25)15-17)23(28-22(27-21)9-10-26)29-11-13-30(14-12-29)24(31)18-6-4-7-18/h3,5,8,15,18H,2,4,6-7,9,11-14,16H2,1H3