2-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[6-(2,3-dihydroindol-1-yl)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-(2,3-dihydroindol-1-yl)-5-nitro-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-(2,3-dihydroindol-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(6-indolin-1-yl-5-nitro-pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC=NC(=C3[N+](=O)[O-])N4CCC5=CC=CC=C54

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC=NC(=C3[N+](=O)[O-])N4CCC5=CC=CC=C54

InChI

InChI=1S/C21H19N5O2/c27-26(28)19-20(24-11-9-15-5-1-2-7-17(15)13-24)22-14-23-21(19)25-12-10-16-6-3-4-8-18(16)25/h1-8,14H,9-13H2