6-[[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-2-phenyl-pyridazin-3-one

Systemtic Name: 6-[[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-2-phenyl-pyridazin-3-one Openeye Name: 6-[[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-2-phenyl-pyridazin-3-one CAS Name: 6-[[4-(1-azepanyl)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-2-phenyl-3-pyridazinone IUPAC Name: 6-[[4-(azepan-1-yl)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one Traditional Name: 6-[[4-(azepan-1-yl)-6-(methylamino)-s-triazin-2-yl]oxy]-2-phenyl-pyridazin-3-one Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC(=N1)N2CCCCCC2)OC3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

CNC1=NC(=NC(=N1)N2CCCCCC2)OC3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N7O2/c1-21-18-22-19(26-13-7-2-3-8-14-26)24-20(23-18)29-16-11-12-17(28)27(25-16)15-9-5-4-6-10-15/h4-6,9-12H,2-3,7-8,13-14H2,1H3,(H,21,22,23,24)