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

Systemtic Name: 4-[[4-[(3-bromophenyl)amino]phthalazin-1-yl]methyl]pyridine-2-carboxamide Openeye Name: 4-[[4-(3-bromoanilino)phthalazin-1-yl]methyl]pyridine-2-carboxamide CAS Name: 4-[[4-(3-bromoanilino)-1-phthalazinyl]methyl]-2-pyridinecarboxamide IUPAC Name: 4-[[4-(3-bromoanilino)phthalazin-1-yl]methyl]pyridine-2-carboxamide Traditional Name: 4-[[4-(3-bromoanilino)phthalazin-1-yl]methyl]picolinamide Formula: C21H16BrN5O MolecularWeight: 434.28864

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN5O/c22-14-4-3-5-15(12-14)25-21-17-7-2-1-6-16(17)18(26-27-21)10-13-8-9-24-19(11-13)20(23)28/h1-9,11-12H,10H2,(H2,23,28)(H,25,27)