[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]-(4-phenylazepan-1-yl)methanone

Systemtic Name: [5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]-(4-phenylazepan-1-yl)methanone Openeye Name: [5-(5-isoquinolyloxymethyl)isoxazol-3-yl]-(4-phenylazepan-1-yl)methanone CAS Name: [5-(5-isoquinolinyloxymethyl)-3-isoxazolyl]-(4-phenyl-1-azepanyl)methanone IUPAC Name: [5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]-(4-phenylazepan-1-yl)methanone Traditional Name: [5-(5-isoquinolyloxymethyl)isoxazol-3-yl]-(4-phenylazepan-1-yl)methanone Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(CCN(C1)C(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O3/c30-26(29-14-5-9-20(12-15-29)19-6-2-1-3-7-19)24-16-22(32-28-24)18-31-25-10-4-8-21-17-27-13-11-23(21)25/h1-4,6-8,10-11,13,16-17,20H,5,9,12,14-15,18H2