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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenyl)oxazole-4-carbonitrile CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-chlorophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chlorophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-chlorophenyl)-5-(4-piperonylpiperazino)oxazole-4-carbonitrile Formula: C22H19ClN4O3 MolecularWeight: 422.86426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(N=C(O4)C5=CC=C(C=C5)Cl)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(N=C(O4)C5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C22H19ClN4O3/c23-17-4-2-16(3-5-17)21-25-18(12-24)22(30-21)27-9-7-26(8-10-27)13-15-1-6-19-20(11-15)29-14-28-19/h1-6,11H,7-10,13-14H2