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

Systemtic Name: 2-azanyl-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 2-amino-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 2-amino-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 2-amino-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 2-amino-3,3-dimethyl-1-(4-piperonylpiperazino)butan-1-one Formula: C18H27N3O3 MolecularWeight: 333.42528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-18(2,3)16(19)17(22)21-8-6-20(7-9-21)11-13-4-5-14-15(10-13)24-12-23-14/h4-5,10,16H,6-9,11-12,19H2,1-3H3