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

Systemtic Name: 2-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C20H17ClN4O3 MolecularWeight: 396.82698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C20H17ClN4O3/c1-13-10-16(6-7-17(13)21)28-20-18(25(26)27)19(22-12-23-20)24-9-8-14-4-2-3-5-15(14)11-24/h2-7,10,12H,8-9,11H2,1H3