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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(N=C1)C2=CC=C(C=C2)NC3=CC=NC=C3.O.O.O.Cl

Isomeric SMILES

C1CC(=O)N(N=C1)C2=CC=C(C=C2)NC3=CC=NC=C3.O.O.O.Cl

InChI

InChI=1S/C15H14N4O.ClH.3H2O/c20-15-2-1-9-17-19(15)14-5-3-12(4-6-14)18-13-7-10-16-11-8-13;;;;/h3-11H,1-2H2,(H,16,18);1H;3*1H2