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

Systemtic Name: 2-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C19H15N7O2 MolecularWeight: 373.3681

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC=NC(=C3[N+](=O)[O-])N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C19H15N7O2/c27-26(28)17-18(24-10-9-13-5-1-2-6-14(13)11-24)20-12-21-19(17)25-16-8-4-3-7-15(16)22-23-25/h1-8,12H,9-11H2