N-(2-imidazol-1-yl-1-phenyl-ethyl)-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-(2-imidazol-1-yl-1-phenyl-ethyl)-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-(2-imidazol-1-yl-1-phenyl-ethyl)-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide CAS Name: N-[2-(1-imidazolyl)-1-phenylethyl]-5-(5-isoquinolinyloxymethyl)-3-isoxazolecarboxamide IUPAC Name: N-(2-imidazol-1-yl-1-phenylethyl)-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(2-imidazol-1-yl-1-phenyl-ethyl)-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN2C=CN=C2)NC(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CN2C=CN=C2)NC(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C25H21N5O3/c31-25(28-23(15-30-12-11-27-17-30)18-5-2-1-3-6-18)22-13-20(33-29-22)16-32-24-8-4-7-19-14-26-10-9-21(19)24/h1-14,17,23H,15-16H2,(H,28,31)