N-[(2-bromanyl-5-methoxy-phenyl)methyl]-3-(8-chloranyl-3-phenyl-cinnolin-4-yl)aniline

Systemtic Name: N-[(2-bromanyl-5-methoxy-phenyl)methyl]-3-(8-chloranyl-3-phenyl-cinnolin-4-yl)aniline Openeye Name: N-[(2-bromo-5-methoxy-phenyl)methyl]-3-(8-chloro-3-phenyl-cinnolin-4-yl)aniline CAS Name: N-[(2-bromo-5-methoxyphenyl)methyl]-3-(8-chloro-3-phenyl-4-cinnolinyl)aniline IUPAC Name: N-[(2-bromo-5-methoxyphenyl)methyl]-3-(8-chloro-3-phenylcinnolin-4-yl)aniline Traditional Name: (2-bromo-5-methoxy-benzyl)-[3-(8-chloro-3-phenyl-cinnolin-4-yl)phenyl]amine Formula: C28H21BrClN3O MolecularWeight: 530.84284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CNC2=CC=CC(=C2)C3=C4C=CC=C(C4=NN=C3C5=CC=CC=C5)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CNC2=CC=CC(=C2)C3=C4C=CC=C(C4=NN=C3C5=CC=CC=C5)Cl

InChI

InChI=1S/C28H21BrClN3O/c1-34-22-13-14-24(29)20(16-22)17-31-21-10-5-9-19(15-21)26-23-11-6-12-25(30)28(23)33-32-27(26)18-7-3-2-4-8-18/h2-16,31H,17H2,1H3