(3S)-7-[2-(oxidanylamino)-2-oxidanylidene-ethoxy]-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Systemtic Name: (3S)-7-[2-(oxidanylamino)-2-oxidanylidene-ethoxy]-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Openeye Name: (3S)-7-[2-(hydroxyamino)-2-oxo-ethoxy]-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide CAS Name: (3S)-7-[2-(hydroxyamino)-2-oxoethoxy]-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide IUPAC Name: (3S)-7-[2-(hydroxyamino)-2-oxoethoxy]-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Traditional Name: (3S)-N-amyl-7-[2-(hydroxyamino)-2-keto-ethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1CC2=C(CN1)C=C(C=C2)OCC(=O)NO

Isomeric SMILES

CCCCCNC(=O)[C@@H]1CC2=C(CN1)C=C(C=C2)OCC(=O)NO

InChI

InChI=1S/C17H25N3O4/c1-2-3-4-7-18-17(22)15-9-12-5-6-14(8-13(12)10-19-15)24-11-16(21)20-23/h5-6,8,15,19,23H,2-4,7,9-11H2,1H3,(H,18,22)(H,20,21)/t15-/m0/s1