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

Systemtic Name: 2-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H19ClN4O3/c1-13-9-17(10-14(2)18(13)22)29-21-19(26(27)28)20(23-12-24-21)25-8-7-15-5-3-4-6-16(15)11-25/h3-6,9-10,12H,7-8,11H2,1-2H3