2-(1,3-benzoxazol-2-yl)-5-[(4-bromanyl-3-methyl-phenyl)amino]-4-chloranyl-pyridazin-3-one

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-5-[(4-bromanyl-3-methyl-phenyl)amino]-4-chloranyl-pyridazin-3-one Openeye Name: 2-(1,3-benzoxazol-2-yl)-5-(4-bromo-3-methyl-anilino)-4-chloro-pyridazin-3-one CAS Name: 2-(1,3-benzoxazol-2-yl)-5-(4-bromo-3-methylanilino)-4-chloro-3-pyridazinone IUPAC Name: 2-(1,3-benzoxazol-2-yl)-5-(4-bromo-3-methylanilino)-4-chloropyridazin-3-one Traditional Name: 2-(1,3-benzoxazol-2-yl)-5-(4-bromo-3-methyl-anilino)-4-chloro-pyridazin-3-one Formula: C18H12BrClN4O2 MolecularWeight: 431.67048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4O3)Cl)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4O3)Cl)Br

InChI

InChI=1S/C18H12BrClN4O2/c1-10-8-11(6-7-12(10)19)22-14-9-21-24(17(25)16(14)20)18-23-13-4-2-3-5-15(13)26-18/h2-9,22H,1H3