4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]benzonitrile CAS Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]benzonitrile IUPAC Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]benzonitrile Traditional Name: 4-[3-keto-3-(4-piperonylpiperazino)propyl]benzonitrile Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H23N3O3/c23-14-18-3-1-17(2-4-18)6-8-22(26)25-11-9-24(10-12-25)15-19-5-7-20-21(13-19)28-16-27-20/h1-5,7,13H,6,8-12,15-16H2