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

Systemtic Name: 2-azanyl-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 2-amino-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 2-amino-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 2-amino-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 2-amino-3-methyl-1-(4-piperonylpiperazino)butan-1-one Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-12(2)16(18)17(21)20-7-5-19(6-8-20)10-13-3-4-14-15(9-13)23-11-22-14/h3-4,9,12,16H,5-8,10-11,18H2,1-2H3