4-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 4-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[2-keto-1-methyl-2-(4-piperonylpiperazino)ethoxy]benzonitrile Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H23N3O4/c1-16(29-19-5-2-17(13-23)3-6-19)22(26)25-10-8-24(9-11-25)14-18-4-7-20-21(12-18)28-15-27-20/h2-7,12,16H,8-11,14-15H2,1H3