N-(3-chloranyl-4-methyl-phenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C26H29ClFN5O MolecularWeight: 481.992763

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)C)Cl)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)C)Cl)CC4=CC(=CC=C4)F

InChI

InChI=1S/C26H29ClFN5O/c1-4-24-22(15-19-6-5-7-20(28)14-19)25(30-18(3)29-24)32-10-12-33(13-11-32)26(34)31-21-9-8-17(2)23(27)16-21/h5-9,14,16H,4,10-13,15H2,1-3H3,(H,31,34)