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

Systemtic Name: 2-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22N4O3/c1-15(2)16-7-9-19(10-8-16)29-22-20(26(27)28)21(23-14-24-22)25-12-11-17-5-3-4-6-18(17)13-25/h3-10,14-15H,11-13H2,1-2H3