N-[(2S)-3-oxidanyl-1-[4-[4-(oxidanylamino)-4-oxidanylidene-butyl]piperidin-1-yl]-1-oxidanylidene-propan-2-yl]isoquinoline-3-carboxamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-[4-[4-(oxidanylamino)-4-oxidanylidene-butyl]piperidin-1-yl]-1-oxidanylidene-propan-2-yl]isoquinoline-3-carboxamide Openeye Name: N-[(1S)-2-[4-[4-(hydroxyamino)-4-oxo-butyl]-1-piperidyl]-1-(hydroxymethyl)-2-oxo-ethyl]isoquinoline-3-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-[4-[4-(hydroxyamino)-4-oxobutyl]-1-piperidinyl]-1-oxopropan-2-yl]-3-isoquinolinecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-1-oxopropan-2-yl]isoquinoline-3-carboxamide Traditional Name: N-[(1S)-2-[4-[4-(hydroxyamino)-4-keto-butyl]piperidino]-2-keto-1-methylol-ethyl]isoquinoline-3-carboxamide Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCCC(=O)NO)C(=O)C(CO)NC(=O)C2=CC3=CC=CC=C3C=N2

Isomeric SMILES

C1CN(CCC1CCCC(=O)NO)C(=O)[C@H](CO)NC(=O)C2=CC3=CC=CC=C3C=N2

InChI

InChI=1S/C22H28N4O5/c27-14-19(24-21(29)18-12-16-5-1-2-6-17(16)13-23-18)22(30)26-10-8-15(9-11-26)4-3-7-20(28)25-31/h1-2,5-6,12-13,15,19,27,31H,3-4,7-11,14H2,(H,24,29)(H,25,28)/t19-/m0/s1