N-[1,3-bis(oxidanyl)propan-2-yl]-1-chloranyl-4-oxidanyl-6-propan-2-yloxy-isoquinoline-3-carboxamide

Systemtic Name: N-[1,3-bis(oxidanyl)propan-2-yl]-1-chloranyl-4-oxidanyl-6-propan-2-yloxy-isoquinoline-3-carboxamide Openeye Name: 1-chloro-4-hydroxy-N-[2-hydroxy-1-(hydroxymethyl)ethyl]-6-isopropoxy-isoquinoline-3-carboxamide CAS Name: 1-chloro-N-(1,3-dihydroxypropan-2-yl)-4-hydroxy-6-propan-2-yloxy-3-isoquinolinecarboxamide IUPAC Name: 1-chloro-N-(1,3-dihydroxypropan-2-yl)-4-hydroxy-6-propan-2-yloxyisoquinoline-3-carboxamide Traditional Name: 1-chloro-4-hydroxy-N-(2-hydroxy-1-methylol-ethyl)-6-isopropoxy-isoquinoline-3-carboxamide Formula: C16H19ClN2O5 MolecularWeight: 354.78546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)NC(CO)CO)Cl

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)C(=NC(=C2O)C(=O)NC(CO)CO)Cl

InChI

InChI=1S/C16H19ClN2O5/c1-8(2)24-10-3-4-11-12(5-10)14(22)13(19-15(11)17)16(23)18-9(6-20)7-21/h3-5,8-9,20-22H,6-7H2,1-2H3,(H,18,23)