ethyl 4-[3-azanylidene-4-[(4-bromophenyl)methylidene]-1H-isoquinolin-2-yl]benzoate

Systemtic Name: ethyl 4-[3-azanylidene-4-[(4-bromophenyl)methylidene]-1H-isoquinolin-2-yl]benzoate Openeye Name: ethyl 4-[4-[(4-bromophenyl)methylene]-3-imino-1H-isoquinolin-2-yl]benzoate CAS Name: 4-[4-[(4-bromophenyl)methylidene]-3-imino-1H-isoquinolin-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-bromophenyl)methylidene]-3-imino-1H-isoquinolin-2-yl]benzoate Traditional Name: 4-[4-(4-bromobenzylidene)-3-imino-1H-isoquinolin-2-yl]benzoic acid ethyl ester Formula: C25H21BrN2O2 MolecularWeight: 461.35044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C(=CC4=CC=C(C=C4)Br)C2=N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C(=CC4=CC=C(C=C4)Br)C2=N

InChI

InChI=1S/C25H21BrN2O2/c1-2-30-25(29)18-9-13-21(14-10-18)28-16-19-5-3-4-6-22(19)23(24(28)27)15-17-7-11-20(26)12-8-17/h3-15,27H,2,16H2,1H3