5-methyl-1-(2-methylpropyl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1,2-diazinan-3-one

Systemtic Name: 5-methyl-1-(2-methylpropyl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-1,2-diazinan-3-one Openeye Name: 1-isobutyl-5-methyl-6-[2-(4-pyridyl)-3H-benzimidazol-5-yl]hexahydropyridazin-3-one CAS Name: 5-methyl-1-(2-methylpropyl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)-3-diazinanone IUPAC Name: 5-methyl-1-(2-methylpropyl)-6-(2-pyridin-4-yl-3H-benzimidazol-5-yl)diazinan-3-one Traditional Name: 1-isobutyl-5-methyl-6-[2-(4-pyridyl)-3H-benzimidazol-5-yl]hexahydropyridazin-3-one Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN(C1C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4)CC(C)C

Isomeric SMILES

CC1CC(=O)NN(C1C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4)CC(C)C

InChI

InChI=1S/C21H25N5O/c1-13(2)12-26-20(14(3)10-19(27)25-26)16-4-5-17-18(11-16)24-21(23-17)15-6-8-22-9-7-15/h4-9,11,13-14,20H,10,12H2,1-3H3,(H,23,24)(H,25,27)