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

Systemtic Name: (2S)-2-azanyl-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-pentan-1-one Openeye Name: (2S)-2-amino-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-pentan-1-one CAS Name: (2S)-2-amino-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-methyl-1-pentanone IUPAC Name: (2S)-2-amino-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methylpentan-1-one Traditional Name: (2S)-2-amino-4-methyl-1-(4-piperonylpiperazino)pentan-1-one Formula: C18H27N3O3 MolecularWeight: 333.42528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C18H27N3O3/c1-13(2)9-15(19)18(22)21-7-5-20(6-8-21)11-14-3-4-16-17(10-14)24-12-23-16/h3-4,10,13,15H,5-9,11-12,19H2,1-2H3/t15-/m0/s1