N-[[(2R)-7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-5-propyl-pyrazole-3-carboxamide

Systemtic Name: N-[[(2R)-7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-5-propyl-pyrazole-3-carboxamide Openeye Name: N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-5-propyl-pyrazole-3-carboxamide CAS Name: N-[[(2R)-7-chloro-5-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-5-propyl-3-pyrazolecarboxamide IUPAC Name: N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-5-propylpyrazole-3-carboxamide Traditional Name: N-[[(2R)-7-chloro-5-(5-pyrimidyl)coumaran-2-yl]methyl]-2-methyl-5-propyl-pyrazole-3-carboxamide Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=CN=CN=C4)Cl)C

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)C4=CN=CN=C4)Cl)C

InChI

InChI=1S/C21H22ClN5O2/c1-3-4-16-8-19(27(2)26-16)21(28)25-11-17-6-14-5-13(7-18(22)20(14)29-17)15-9-23-12-24-10-15/h5,7-10,12,17H,3-4,6,11H2,1-2H3,(H,25,28)/t17-/m1/s1