N-(3-chloranyl-4-fluoranyl-phenyl)-4-(6-ethoxy-2-methyl-pyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(6-ethoxy-2-methyl-pyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(6-ethoxy-2-methyl-pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(6-ethoxy-2-methyl-4-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(6-ethoxy-2-methyl-pyrimidin-4-yl)piperazine-1-carboxamide Formula: C18H21ClFN5O2 MolecularWeight: 393.843043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1)N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CCOC1=NC(=NC(=C1)N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)F)Cl)C

InChI

InChI=1S/C18H21ClFN5O2/c1-3-27-17-11-16(21-12(2)22-17)24-6-8-25(9-7-24)18(26)23-13-4-5-15(20)14(19)10-13/h4-5,10-11H,3,6-9H2,1-2H3,(H,23,26)