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

Systemtic Name: 2-[4,5-bis(oxidanyl)-3-(pyrazin-2-ylcarbonylamino)cyclohexen-1-yl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[4,5-dihydroxy-3-(pyrazine-2-carbonylamino)cyclohexene-1-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[[4,5-dihydroxy-3-[[oxo(2-pyrazinyl)methyl]amino]-1-cyclohexenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[4,5-dihydroxy-3-(pyrazine-2-carbonylamino)cyclohexene-1-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[4,5-dihydroxy-3-(pyrazinoylamino)cyclohexene-1-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H23N5O5 MolecularWeight: 437.44852

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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=NC=CN=C4)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O5/c23-20(30)17-8-12-3-1-2-4-13(12)11-27(17)22(32)14-7-15(19(29)18(28)9-14)26-21(31)16-10-24-5-6-25-16/h1-7,10,15,17-19,28-29H,8-9,11H2,(H2,23,30)(H,26,31)