N-(2,6-dimethylphenyl)-2-[4-(3-isoquinolin-5-yloxy-2-oxidanyl-propyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(3-isoquinolin-5-yloxy-2-oxidanyl-propyl)piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(5-isoquinolyloxy)propyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(5-isoquinolinyloxy)propyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-3-isoquinolin-5-yloxypropyl)piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(5-isoquinolyloxy)propyl]piperazino]acetamide Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC4=C3C=CN=C4)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC4=C3C=CN=C4)O

InChI

InChI=1S/C26H32N4O3/c1-19-5-3-6-20(2)26(19)28-25(32)17-30-13-11-29(12-14-30)16-22(31)18-33-24-8-4-7-21-15-27-10-9-23(21)24/h3-10,15,22,31H,11-14,16-18H2,1-2H3,(H,28,32)