N-[(2S,3R)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]benzamide

Systemtic Name: N-[(2S,3R)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]benzamide Openeye Name: N-[(1S,2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-benzyl-2-hydroxy-propyl]benzamide CAS Name: N-[(2S,3R)-4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-hydroxy-1-phenylbutan-2-yl]benzamide IUPAC Name: N-[(2S,3R)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]benzamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(4-piperonylpiperazino)propyl]benzamide Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(C(CC4=CC=CC=C4)NC(=O)C5=CC=CC=C5)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C[C@H]([C@H](CC4=CC=CC=C4)NC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C29H33N3O4/c33-26(25(17-22-7-3-1-4-8-22)30-29(34)24-9-5-2-6-10-24)20-32-15-13-31(14-16-32)19-23-11-12-27-28(18-23)36-21-35-27/h1-12,18,25-26,33H,13-17,19-21H2,(H,30,34)/t25-,26+/m0/s1