1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-phenyl-butan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-phenyl-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-phenylbutan-1-one Traditional Name: 4-phenyl-1-(4-piperonylpiperazino)butan-1-one Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCC4=CC=CC=C4

InChI

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