N-[1-[5-(oxidanylcarbamoyl)pyridin-2-yl]piperidin-4-yl]isoquinoline-3-carboxamide

Systemtic Name: N-[1-[5-(oxidanylcarbamoyl)pyridin-2-yl]piperidin-4-yl]isoquinoline-3-carboxamide Openeye Name: N-[1-[5-(hydroxycarbamoyl)-2-pyridyl]-4-piperidyl]isoquinoline-3-carboxamide CAS Name: N-[1-[5-[(hydroxyamino)-oxomethyl]-2-pyridinyl]-4-piperidinyl]-3-isoquinolinecarboxamide IUPAC Name: N-[1-[5-(hydroxycarbamoyl)pyridin-2-yl]piperidin-4-yl]isoquinoline-3-carboxamide Traditional Name: N-[1-[5-(hydroxycarbamoyl)-2-pyridyl]-4-piperidyl]isoquinoline-3-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC3=CC=CC=C3C=N2)C4=NC=C(C=C4)C(=O)NO

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC3=CC=CC=C3C=N2)C4=NC=C(C=C4)C(=O)NO

InChI

InChI=1S/C21H21N5O3/c27-20(25-29)16-5-6-19(23-13-16)26-9-7-17(8-10-26)24-21(28)18-11-14-3-1-2-4-15(14)12-22-18/h1-6,11-13,17,29H,7-10H2,(H,24,28)(H,25,27)