5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(2-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(2-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(2-methylphenoxy)methyl]oxazole-4-carbonitrile CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(2-methylphenoxy)methyl]-4-oxazolecarbonitrile IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(2-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-[(2-methylphenoxy)methyl]-5-(4-piperonylpiperazino)oxazole-4-carbonitrile Formula: C24H24N4O4 MolecularWeight: 432.47176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NC(=C(O2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

CC1=CC=CC=C1OCC2=NC(=C(O2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C24H24N4O4/c1-17-4-2-3-5-20(17)29-15-23-26-19(13-25)24(32-23)28-10-8-27(9-11-28)14-18-6-7-21-22(12-18)31-16-30-21/h2-7,12H,8-11,14-16H2,1H3