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

Systemtic Name: 4-[[4-[(4-chlorophenyl)amino]phthalazin-1-yl]methyl]pyridine-2-carboxamide dihydrochloride Openeye Name: 4-[[4-(4-chloroanilino)phthalazin-1-yl]methyl]pyridine-2-carboxamide dihydrochloride CAS Name: 4-[[4-(4-chloroanilino)-1-phthalazinyl]methyl]-2-pyridinecarboxamide dihydrochloride IUPAC Name: 4-[[4-(4-chloroanilino)phthalazin-1-yl]methyl]pyridine-2-carboxamide dihydrochloride Traditional Name: 4-[[4-(4-chloroanilino)phthalazin-1-yl]methyl]picolinamide dihydrochloride Formula: C21H18Cl3N5O MolecularWeight: 462.75952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC(=NC=C4)C(=O)N.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC(=NC=C4)C(=O)N.Cl.Cl

InChI

InChI=1S/C21H16ClN5O.2ClH/c22-14-5-7-15(8-6-14)25-21-17-4-2-1-3-16(17)18(26-27-21)11-13-9-10-24-19(12-13)20(23)28;;/h1-10,12H,11H2,(H2,23,28)(H,25,27);2*1H