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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-3-13(2)17(19)18(22)21-8-6-20(7-9-21)11-14-4-5-15-16(10-14)24-12-23-15/h4-5,10,13,17H,3,6-9,11-12,19H2,1-2H3/t13?,17-/m0/s1