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

Systemtic Name: 4-[[4-[(4-chlorophenyl)amino]phthalazin-1-yl]methyl]-N-methyl-pyridine-2-carboxamide dihydrochloride Openeye Name: 4-[[4-(4-chloroanilino)phthalazin-1-yl]methyl]-N-methyl-pyridine-2-carboxamide dihydrochloride CAS Name: 4-[[4-(4-chloroanilino)-1-phthalazinyl]methyl]-N-methyl-2-pyridinecarboxamide dihydrochloride IUPAC Name: 4-[[4-(4-chloroanilino)phthalazin-1-yl]methyl]-N-methylpyridine-2-carboxamide dihydrochloride Traditional Name: 4-[[4-(4-chloroanilino)phthalazin-1-yl]methyl]-N-methyl-picolinamide dihydrochloride Formula: C22H20Cl3N5O MolecularWeight: 476.7861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NC=CC(=C1)CC2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)Cl.Cl.Cl

Isomeric SMILES

CNC(=O)C1=NC=CC(=C1)CC2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)Cl.Cl.Cl

InChI

InChI=1S/C22H18ClN5O.2ClH/c1-24-22(29)20-13-14(10-11-25-20)12-19-17-4-2-3-5-18(17)21(28-27-19)26-16-8-6-15(23)7-9-16;;/h2-11,13H,12H2,1H3,(H,24,29)(H,26,28);2*1H