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

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(4-piperonylpiperazino)ethyl]cinchoninamide Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C(CO)NC(=O)C4=CC=NC5=CC=CC=C45

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)[C@H](CO)NC(=O)C4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C25H26N4O5/c30-15-21(27-24(31)19-7-8-26-20-4-2-1-3-18(19)20)25(32)29-11-9-28(10-12-29)14-17-5-6-22-23(13-17)34-16-33-22/h1-8,13,21,30H,9-12,14-16H2,(H,27,31)/t21-/m0/s1