N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]acetamide Formula: C23H29FN6O MolecularWeight: 424.514363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)CC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H29FN6O/c1-17(2)23-26-18(3)15-21(27-23)29-13-11-28(12-14-29)16-22(31)30(10-4-9-25)20-7-5-19(24)6-8-20/h5-8,15,17H,4,10-14,16H2,1-3H3