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

Systemtic Name: N-[(2S,3R)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-oxidanyl-benzamide Openeye Name: N-[(1S,2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-benzyl-2-hydroxy-propyl]-3-hydroxy-2-methyl-benzamide CAS Name: N-[(2S,3R)-4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxy-2-methylbenzamide IUPAC Name: N-[(2S,3R)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxy-2-methylbenzamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(4-piperonylpiperazino)propyl]-3-hydroxy-2-methyl-benzamide Formula: C30H35N3O5 MolecularWeight: 517.616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C30H35N3O5/c1-21-24(8-5-9-26(21)34)30(36)31-25(16-22-6-3-2-4-7-22)27(35)19-33-14-12-32(13-15-33)18-23-10-11-28-29(17-23)38-20-37-28/h2-11,17,25,27,34-35H,12-16,18-20H2,1H3,(H,31,36)/t25-,27+/m0/s1