2-[4,5-bis(oxidanyl)-3-(pyridin-3-ylcarbonylamino)cyclohexen-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[4,5-bis(oxidanyl)-3-(pyridin-3-ylcarbonylamino)cyclohexen-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[4,5-dihydroxy-3-(pyridine-3-carbonylamino)cyclohexene-1-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[[4,5-dihydroxy-3-[[oxo(3-pyridinyl)methyl]amino]-1-cyclohexenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[4,5-dihydroxy-3-(pyridine-3-carbonylamino)cyclohexene-1-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4,5-dihydroxy-3-nicotinamido-cyclohexene-1-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C=C1C(=O)N2CC3=CC=CC=C3CC2C(=O)N)NC(=O)C4=CN=CC=C4)O)O

Isomeric SMILES

C1C(C(C(C=C1C(=O)N2CC3=CC=CC=C3CC2C(=O)N)NC(=O)C4=CN=CC=C4)O)O

InChI

InChI=1S/C23H24N4O5/c24-21(30)18-9-13-4-1-2-5-15(13)12-27(18)23(32)16-8-17(20(29)19(28)10-16)26-22(31)14-6-3-7-25-11-14/h1-8,11,17-20,28-29H,9-10,12H2,(H2,24,30)(H,26,31)