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

Systemtic Name: 8-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline Openeye Name: 8-[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline CAS Name: 8-[[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]oxy]-2-methylquinoline IUPAC Name: 8-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]oxy-2-methylquinoline Traditional Name: 8-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]oxy-2-methyl-quinoline Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C(=NC=N2)OC3=CC=CC4=C3N=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C2=C(C(=NC=N2)OC3=CC=CC4=C3N=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-3-16-8-4-5-12-25(16)20-19(26(27)28)21(23-13-22-20)29-17-9-6-7-15-11-10-14(2)24-18(15)17/h6-7,9-11,13,16H,3-5,8,12H2,1-2H3