N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-pyrimidin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-pyrimidin-2-yl-piperazine-1-carboxamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-pyrimidin-2-yl-piperazine-1-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(2-pyrimidyl)piperazine-1-carboxamide Formula: C17H20ClN5O3 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)N2CCN(CC2)C3=NC=CC=N3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)N2CCN(CC2)C3=NC=CC=N3)OC)Cl

InChI

InChI=1S/C17H20ClN5O3/c1-25-14-11-13(15(26-2)10-12(14)18)21-17(24)23-8-6-22(7-9-23)16-19-4-3-5-20-16/h3-5,10-11H,6-9H2,1-2H3,(H,21,24)