[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]-[3-(2-methylphenyl)piperidin-1-yl]methanone

Systemtic Name: [5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]-[3-(2-methylphenyl)piperidin-1-yl]methanone Openeye Name: [5-(5-isoquinolyloxymethyl)isoxazol-3-yl]-[3-(o-tolyl)-1-piperidyl]methanone CAS Name: [5-(5-isoquinolinyloxymethyl)-3-isoxazolyl]-[3-(2-methylphenyl)-1-piperidinyl]methanone IUPAC Name: [5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]-[3-(2-methylphenyl)piperidin-1-yl]methanone Traditional Name: [5-(5-isoquinolyloxymethyl)isoxazol-3-yl]-[3-(o-tolyl)piperidino]methanone Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CCCN(C2)C(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CC1=CC=CC=C1C2CCCN(C2)C(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C26H25N3O3/c1-18-6-2-3-9-22(18)20-8-5-13-29(16-20)26(30)24-14-21(32-28-24)17-31-25-10-4-7-19-15-27-12-11-23(19)25/h2-4,6-7,9-12,14-15,20H,5,8,13,16-17H2,1H3