6-ethoxy-4-(3-morpholin-4-ylpropylamino)-2-phenyl-pyridazin-3-one hydrate dihydrochloride

Systemtic Name: 6-ethoxy-4-(3-morpholin-4-ylpropylamino)-2-phenyl-pyridazin-3-one hydrate dihydrochloride Openeye Name: 6-ethoxy-4-(3-morpholinopropylamino)-2-phenyl-pyridazin-3-one hydrate dihydrochloride CAS Name: 6-ethoxy-4-[3-(4-morpholinyl)propylamino]-2-phenyl-3-pyridazinone hydrate dihydrochloride IUPAC Name: 6-ethoxy-4-(3-morpholin-4-ylpropylamino)-2-phenylpyridazin-3-one hydrate dihydrochloride Traditional Name: 6-ethoxy-4-(3-morpholinopropylamino)-2-phenyl-pyridazin-3-one hydrate dihydrochloride Formula: C38H56Cl2N8O7 MolecularWeight: 807.80664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=O)C(=C1)NCCCN2CCOCC2)C3=CC=CC=C3.CCOC1=NN(C(=O)C(=C1)NCCCN2CCOCC2)C3=CC=CC=C3.O.Cl.Cl

Isomeric SMILES

CCOC1=NN(C(=O)C(=C1)NCCCN2CCOCC2)C3=CC=CC=C3.CCOC1=NN(C(=O)C(=C1)NCCCN2CCOCC2)C3=CC=CC=C3.O.Cl.Cl

InChI

InChI=1S/2C19H26N4O3.2ClH.H2O/c2*1-2-26-18-15-17(20-9-6-10-22-11-13-25-14-12-22)19(24)23(21-18)16-7-4-3-5-8-16;;;/h2*3-5,7-8,15,20H,2,6,9-14H2,1H3;2*1H;1H2