[(2S)-5-chloranyl-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(2S)-5-chloranyl-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [(2S)-5-chloro-2,3-dihydrobenzofuran-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [(2S)-5-chloro-2,3-dihydrobenzofuran-2-yl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [(2S)-5-chlorocoumaran-2-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C17H17ClN4O2 MolecularWeight: 344.79548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)[C@@H]3CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C17H17ClN4O2/c18-13-2-3-14-12(10-13)11-15(24-14)16(23)21-6-8-22(9-7-21)17-19-4-1-5-20-17/h1-5,10,15H,6-9,11H2/t15-/m0/s1