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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-17(19-5-3-2-4-6-19)13-22(25)24-11-9-23(10-12-24)15-18-7-8-20-21(14-18)27-16-26-20/h2-8,14,17H,9-13,15-16H2,1H3