4-[[4-[(4-chlorophenyl)amino]phthalazin-1-yl]oxymethyl]pyridine-2-carboxamide dihydrochloride

Systemtic Name: 4-[[4-[(4-chlorophenyl)amino]phthalazin-1-yl]oxymethyl]pyridine-2-carboxamide dihydrochloride Openeye Name: 4-[[4-(4-chloroanilino)phthalazin-1-yl]oxymethyl]pyridine-2-carboxamide dihydrochloride CAS Name: 4-[[4-(4-chloroanilino)-1-phthalazinyl]oxymethyl]-2-pyridinecarboxamide dihydrochloride IUPAC Name: 4-[[4-(4-chloroanilino)phthalazin-1-yl]oxymethyl]pyridine-2-carboxamide dihydrochloride Traditional Name: 4-[[4-(4-chloroanilino)phthalazin-1-yl]oxymethyl]picolinamide dihydrochloride Formula: C21H18Cl3N5O2 MolecularWeight: 478.75892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2OCC3=CC(=NC=C3)C(=O)N)NC4=CC=C(C=C4)Cl.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2OCC3=CC(=NC=C3)C(=O)N)NC4=CC=C(C=C4)Cl.Cl.Cl

InChI

InChI=1S/C21H16ClN5O2.2ClH/c22-14-5-7-15(8-6-14)25-20-16-3-1-2-4-17(16)21(27-26-20)29-12-13-9-10-24-18(11-13)19(23)28;;/h1-11H,12H2,(H2,23,28)(H,25,26);2*1H