8-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline

Systemtic Name: 8-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline Openeye Name: 8-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline CAS Name: 8-[[6-(1-azepanyl)-5-nitro-4-pyrimidinyl]oxy]-2-methylquinoline IUPAC Name: 8-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]oxy-2-methylquinoline Traditional Name: 8-[6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCCCCC4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])N4CCCCCC4)C=C1

InChI

InChI=1S/C20H21N5O3/c1-14-9-10-15-7-6-8-16(17(15)23-14)28-20-18(25(26)27)19(21-13-22-20)24-11-4-2-3-5-12-24/h6-10,13H,2-5,11-12H2,1H3