2-phenyl-4-(pyridin-4-ylamino)-4,5-dihydropyridazin-3-one trihydrate hydrochloride

Systemtic Name: 2-phenyl-4-(pyridin-4-ylamino)-4,5-dihydropyridazin-3-one trihydrate hydrochloride Openeye Name: 2-phenyl-4-(4-pyridylamino)-4,5-dihydropyridazin-3-one trihydrate hydrochloride CAS Name: 2-phenyl-4-(pyridin-4-ylamino)-4,5-dihydropyridazin-3-one trihydrate hydrochloride IUPAC Name: 2-phenyl-4-(pyridin-4-ylamino)-4,5-dihydropyridazin-3-one trihydrate hydrochloride Traditional Name: 2-phenyl-4-(4-pyridylamino)-4,5-dihydropyridazin-3-one trihydrate hydrochloride Formula: C15H21ClN4O4 MolecularWeight: 356.80464

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Descriptors Computed from Structure

Canonical SMILES:

C1C=NN(C(=O)C1NC2=CC=NC=C2)C3=CC=CC=C3.O.O.O.Cl

Isomeric SMILES

C1C=NN(C(=O)C1NC2=CC=NC=C2)C3=CC=CC=C3.O.O.O.Cl

InChI

InChI=1S/C15H14N4O.ClH.3H2O/c20-15-14(18-12-6-9-16-10-7-12)8-11-17-19(15)13-4-2-1-3-5-13;;;;/h1-7,9-11,14H,8H2,(H,16,18);1H;3*1H2