[4-[(4-chlorophenyl)amino]phthalazin-1-yl]oxymethyl-pyridin-2-yl-carbamic acid dihydrochloride

Systemtic Name: [4-[(4-chlorophenyl)amino]phthalazin-1-yl]oxymethyl-pyridin-2-yl-carbamic acid dihydrochloride Openeye Name: [4-(4-chloroanilino)phthalazin-1-yl]oxymethyl-(2-pyridyl)carbamic acid dihydrochloride CAS Name: [4-(4-chloroanilino)-1-phthalazinyl]oxymethyl-(2-pyridinyl)carbamic acid dihydrochloride IUPAC Name: [4-(4-chloroanilino)phthalazin-1-yl]oxymethyl-pyridin-2-ylcarbamic acid dihydrochloride Traditional Name: [4-(4-chloroanilino)phthalazin-1-yl]oxymethyl-(2-pyridyl)carbamic acid dihydrochloride Formula: C21H18Cl3N5O3 MolecularWeight: 494.75832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2OCN(C3=CC=CC=N3)C(=O)O)NC4=CC=C(C=C4)Cl.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2OCN(C3=CC=CC=N3)C(=O)O)NC4=CC=C(C=C4)Cl.Cl.Cl

InChI

InChI=1S/C21H16ClN5O3.2ClH/c22-14-8-10-15(11-9-14)24-19-16-5-1-2-6-17(16)20(26-25-19)30-13-27(21(28)29)18-7-3-4-12-23-18;;/h1-12H,13H2,(H,24,25)(H,28,29);2*1H