N-(4-chloranyl-2-fluoranyl-phenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]propanamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]propanamide CAS Name: N-(4-chloro-2-fluorophenyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]propionamide Formula: C21H27ClFN5O MolecularWeight: 419.923383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C21H27ClFN5O/c1-13(2)20-24-14(3)11-19(26-20)28-9-7-27(8-10-28)15(4)21(29)25-18-6-5-16(22)12-17(18)23/h5-6,11-13,15H,7-10H2,1-4H3,(H,25,29)