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

Systemtic Name: 6-[[4-(azepan-1-yl)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenyl-pyridazin-3-one Openeye Name: 6-[[4-(azepan-1-yl)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenyl-pyridazin-3-one CAS Name: 6-[[4-(1-azepanyl)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenyl-3-pyridazinone IUPAC Name: 6-[[4-(azepan-1-yl)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-phenylpyridazin-3-one Traditional Name: 6-[[4-(azepan-1-yl)-6-(dimethylamino)-s-triazin-2-yl]oxy]-2-phenyl-pyridazin-3-one Formula: C21H25N7O2 MolecularWeight: 407.4689

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N2CCCCCC2)OC3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N2CCCCCC2)OC3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H25N7O2/c1-26(2)19-22-20(27-14-8-3-4-9-15-27)24-21(23-19)30-17-12-13-18(29)28(25-17)16-10-6-5-7-11-16/h5-7,10-13H,3-4,8-9,14-15H2,1-2H3