N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-1-phenyl-cyclopropane-1-carboxamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-1-phenyl-cyclopropane-1-carboxamide Openeye Name: N-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]-1-phenyl-cyclopropanecarboxamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-1-phenyl-1-cyclopropanecarboxamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopropane-1-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(4-piperonylpiperazino)ethyl]-1-phenyl-cyclopropanecarboxamide Formula: C25H29N3O5 MolecularWeight: 451.51486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)C(=O)NC(CO)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1(C2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H29N3O5/c29-16-20(26-24(31)25(8-9-25)19-4-2-1-3-5-19)23(30)28-12-10-27(11-13-28)15-18-6-7-21-22(14-18)33-17-32-21/h1-7,14,20,29H,8-13,15-17H2,(H,26,31)/t20-/m0/s1