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

Systemtic Name: 1-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline Openeye Name: 1-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline CAS Name: 1-[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]-3,4-dihydro-2H-quinoline IUPAC Name: 1-[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline Traditional Name: 1-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline 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-])N3CCCC4=CC=CC=C43

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43

InChI

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