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

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(4-piperonylpiperazino)ethyl]-4-pyren-1-yl-butyramide Formula: C35H35N3O5 MolecularWeight: 577.6695

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C(CO)NC(=O)CCCC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)[C@H](CO)NC(=O)CCCC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4

InChI

InChI=1S/C35H35N3O5/c39-21-29(35(41)38-17-15-37(16-18-38)20-23-7-14-30-31(19-23)43-22-42-30)36-32(40)6-2-3-24-8-9-27-11-10-25-4-1-5-26-12-13-28(24)34(27)33(25)26/h1,4-5,7-14,19,29,39H,2-3,6,15-18,20-22H2,(H,36,40)/t29-/m0/s1