1-(1,3-benzodioxol-5-yl)-5-(4-phenylpiperazin-1-yl)pentan-1-one

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-(4-phenylpiperazin-1-yl)pentan-1-one Openeye Name: 1-(1,3-benzodioxol-5-yl)-5-(4-phenylpiperazin-1-yl)pentan-1-one CAS Name: 1-(1,3-benzodioxol-5-yl)-5-(4-phenyl-1-piperazinyl)-1-pentanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-5-(4-phenylpiperazin-1-yl)pentan-1-one Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-(4-phenylpiperazino)pentan-1-one Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCCC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O3/c25-20(18-9-10-21-22(16-18)27-17-26-21)8-4-5-11-23-12-14-24(15-13-23)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2