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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NN1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=CN=CN=C4)Cl

Isomeric SMILES

CC(C)CC1=CC(=NN1)C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)C4=CN=CN=C4)Cl

InChI

InChI=1S/C21H22ClN5O2/c1-12(2)3-16-7-19(27-26-16)21(28)25-10-17-5-14-4-13(6-18(22)20(14)29-17)15-8-23-11-24-9-15/h4,6-9,11-12,17H,3,5,10H2,1-2H3,(H,25,28)(H,26,27)/t17-/m1/s1