N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine; ethanedioic acid

Systemtic Name: N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine; ethanedioic acid Openeye Name: N-(4-chlorophenyl)-4-(4-pyridylmethyl)phthalazin-1-amine; oxalic acid CAS Name: N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)-1-phthalazinamine; oxalic acid IUPAC Name: N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine; oxalic acid Traditional Name: (4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-yl]amine; oxalic acid Formula: C22H17ClN4O4 MolecularWeight: 436.84778

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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)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN4.C2H2O4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14;3-1(4)2(5)6/h1-12H,13H2,(H,23,25);(H,3,4)(H,5,6)