N-[[(2R)-5-chloranyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

Systemtic Name: N-[[(2R)-5-chloranyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide Openeye Name: N-[[(2R)-5-chloro-7-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide CAS Name: N-[[(2R)-5-chloro-7-(2-pyrazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-(3,5-dimethyl-1-pyrazolyl)propanamide IUPAC Name: N-[[(2R)-5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide Traditional Name: N-[[(2R)-5-chloro-7-pyrazin-2-yl-coumaran-2-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)propionamide Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NCC2CC3=C(O2)C(=CC(=C3)Cl)C4=NC=CN=C4)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)Cl)C4=NC=CN=C4)C

InChI

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