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

Systemtic Name: 2-[4,5-bis(oxidanyl)-3-(piperidin-4-ylcarbonylamino)cyclohexen-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[4,5-dihydroxy-3-(piperidine-4-carbonylamino)cyclohexene-1-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[[4,5-dihydroxy-3-[[oxo(4-piperidinyl)methyl]amino]-1-cyclohexenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[4,5-dihydroxy-3-(piperidine-4-carbonylamino)cyclohexene-1-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[4,5-dihydroxy-3-(isonipecotoylamino)cyclohexene-1-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H30N4O5 MolecularWeight: 442.5081

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)NC2C=C(CC(C2O)O)C(=O)N3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

C1CNCCC1C(=O)NC2C=C(CC(C2O)O)C(=O)N3CC4=CC=CC=C4CC3C(=O)N

InChI

InChI=1S/C23H30N4O5/c24-21(30)18-10-14-3-1-2-4-15(14)12-27(18)23(32)16-9-17(20(29)19(28)11-16)26-22(31)13-5-7-25-8-6-13/h1-4,9,13,17-20,25,28-29H,5-8,10-12H2,(H2,24,30)(H,26,31)