2-(1,3-benzodioxol-5-yloxymethyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-(4-phenylpiperazin-1-yl)oxazole-4-carbonitrile CAS Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-(4-phenyl-1-piperazinyl)-4-oxazolecarbonitrile IUPAC Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-(4-phenylpiperazino)oxazole-4-carbonitrile Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(N=C(O3)COC4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(N=C(O3)COC4=CC5=C(C=C4)OCO5)C#N

InChI

InChI=1S/C22H20N4O4/c23-13-18-22(26-10-8-25(9-11-26)16-4-2-1-3-5-16)30-21(24-18)14-27-17-6-7-19-20(12-17)29-15-28-19/h1-7,12H,8-11,14-15H2