4-(3-isoquinolin-5-yloxypropyl)-3-piperidin-4-yl-1,2-benzoxazole

Systemtic Name: 4-(3-isoquinolin-5-yloxypropyl)-3-piperidin-4-yl-1,2-benzoxazole Openeye Name: 4-[3-(5-isoquinolyloxy)propyl]-3-(4-piperidyl)-1,2-benzoxazole CAS Name: 4-[3-(5-isoquinolinyloxy)propyl]-3-(4-piperidinyl)-1,2-benzoxazole IUPAC Name: 4-(3-isoquinolin-5-yloxypropyl)-3-piperidin-4-yl-1,2-benzoxazole Traditional Name: 4-[3-(5-isoquinolyloxy)propyl]-3-(4-piperidyl)indoxazene Formula: C24H25N3O2 MolecularWeight: 387.4742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=NOC3=CC=CC(=C32)CCCOC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CNCCC1C2=NOC3=CC=CC(=C32)CCCOC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C24H25N3O2/c1-4-17(23-22(8-1)29-27-24(23)18-9-12-25-13-10-18)6-3-15-28-21-7-2-5-19-16-26-14-11-20(19)21/h1-2,4-5,7-8,11,14,16,18,25H,3,6,9-10,12-13,15H2