N2-[2-(1H-indol-3-yl)ethyl]-N6-oxidanyl-3,4-dihydro-1H-isoquinoline-2,6-dicarboxamide

Systemtic Name: N2-[2-(1H-indol-3-yl)ethyl]-N6-oxidanyl-3,4-dihydro-1H-isoquinoline-2,6-dicarboxamide Openeye Name: 6-(hydroxycarbamoyl)-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N6-hydroxy-N2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,6-dicarboxamide IUPAC Name: 6-N-hydroxy-2-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2,6-dicarboxamide Traditional Name: 6-(hydroxycarbamoyl)-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)C(=O)NO)C(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)C(=O)NO)C(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O3/c26-20(24-28)15-5-6-17-13-25(10-8-14(17)11-15)21(27)22-9-7-16-12-23-19-4-2-1-3-18(16)19/h1-6,11-12,23,28H,7-10,13H2,(H,22,27)(H,24,26)