5-(isoquinolin-5-yloxymethyl)-N-methyl-N-[(3S)-3-oxidanyl-3-phenyl-propyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(isoquinolin-5-yloxymethyl)-N-methyl-N-[(3S)-3-oxidanyl-3-phenyl-propyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[(3S)-3-hydroxy-3-phenyl-propyl]-5-(5-isoquinolyloxymethyl)-N-methyl-isoxazole-3-carboxamide CAS Name: N-[(3S)-3-hydroxy-3-phenylpropyl]-5-(5-isoquinolinyloxymethyl)-N-methyl-3-isoxazolecarboxamide IUPAC Name: N-[(3S)-3-hydroxy-3-phenylpropyl]-5-(isoquinolin-5-yloxymethyl)-N-methyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(3S)-3-hydroxy-3-phenyl-propyl]-5-(5-isoquinolyloxymethyl)-N-methyl-isoxazole-3-carboxamide Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(C1=CC=CC=C1)O)C(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CC[C@@H](C1=CC=CC=C1)O)C(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C24H23N3O4/c1-27(13-11-22(28)17-6-3-2-4-7-17)24(29)21-14-19(31-26-21)16-30-23-9-5-8-18-15-25-12-10-20(18)23/h2-10,12,14-15,22,28H,11,13,16H2,1H3/t22-/m0/s1