3-[4-(pyridin-4-ylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one trihydrate hydrochloride

Systemtic Name: 3-[4-(pyridin-4-ylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one trihydrate hydrochloride Openeye Name: 3-[4-(4-pyridylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one trihydrate hydrochloride CAS Name: 3-[4-(pyridin-4-ylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one trihydrate hydrochloride IUPAC Name: 3-[4-(pyridin-4-ylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one trihydrate hydrochloride Traditional Name: 3-[4-(4-pyridylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one trihydrate hydrochloride Formula: C15H21ClN4O4 MolecularWeight: 356.80464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C2=CC=C(C=C2)NC3=CC=NC=C3.O.O.O.Cl

Isomeric SMILES

C1CC(=O)NN=C1C2=CC=C(C=C2)NC3=CC=NC=C3.O.O.O.Cl

InChI

InChI=1S/C15H14N4O.ClH.3H2O/c20-15-6-5-14(18-19-15)11-1-3-12(4-2-11)17-13-7-9-16-10-8-13;;;;/h1-4,7-10H,5-6H2,(H,16,17)(H,19,20);1H;3*1H2