N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide Openeye Name: N-[(1S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-propyl]-2-methyl-benzamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide Traditional Name: 2-methyl-N-[(1S)-2-methyl-1-(4-piperonylpiperazine-1-carbonyl)propyl]benzamide Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H31N3O4/c1-17(2)23(26-24(29)20-7-5-4-6-18(20)3)25(30)28-12-10-27(11-13-28)15-19-8-9-21-22(14-19)32-16-31-21/h4-9,14,17,23H,10-13,15-16H2,1-3H3,(H,26,29)/t23-/m0/s1