N-(1-oxidanylbutan-2-yl)-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-(1-oxidanylbutan-2-yl)-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-[1-(hydroxymethyl)propyl]-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-(1-hydroxybutan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-(1-hydroxybutan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: 1-keto-N-(1-methylolpropyl)-2H-isoquinoline-3-carboxamide Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC(=O)C1=CC2=CC=CC=C2C(=O)N1

Isomeric SMILES

CCC(CO)NC(=O)C1=CC2=CC=CC=C2C(=O)N1

InChI

InChI=1S/C14H16N2O3/c1-2-10(8-17)15-14(19)12-7-9-5-3-4-6-11(9)13(18)16-12/h3-7,10,17H,2,8H2,1H3,(H,15,19)(H,16,18)