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

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-naphthalen-2-yl-ethanamide Openeye Name: N-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]-2-(2-naphthyl)acetamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-2-(2-naphthalenyl)acetamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-naphthalen-2-ylacetamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(4-piperonylpiperazino)ethyl]-2-(2-naphthyl)acetamide Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C(CO)NC(=O)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)[C@H](CO)NC(=O)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H29N3O5/c31-17-23(28-26(32)15-19-5-7-21-3-1-2-4-22(21)13-19)27(33)30-11-9-29(10-12-30)16-20-6-8-24-25(14-20)35-18-34-24/h1-8,13-14,23,31H,9-12,15-18H2,(H,28,32)/t23-/m0/s1