4-[[4-[(3-bromophenyl)amino]phthalazin-1-yl]methyl]pyridine-2-carboxylic acid

Systemtic Name: 4-[[4-[(3-bromophenyl)amino]phthalazin-1-yl]methyl]pyridine-2-carboxylic acid Openeye Name: 4-[[4-(3-bromoanilino)phthalazin-1-yl]methyl]pyridine-2-carboxylic acid CAS Name: 4-[[4-(3-bromoanilino)-1-phthalazinyl]methyl]-2-pyridinecarboxylic acid IUPAC Name: 4-[[4-(3-bromoanilino)phthalazin-1-yl]methyl]pyridine-2-carboxylic acid Traditional Name: 4-[[4-(3-bromoanilino)phthalazin-1-yl]methyl]picolinic acid Formula: C21H15BrN4O2 MolecularWeight: 435.2734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN4O2/c22-14-4-3-5-15(12-14)24-20-17-7-2-1-6-16(17)18(25-26-20)10-13-8-9-23-19(11-13)21(27)28/h1-9,11-12H,10H2,(H,24,26)(H,27,28)