methyl 6-bromanyl-2-(methylamino)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: methyl 6-bromanyl-2-(methylamino)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: methyl 6-bromo-2-(methylamino)-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 6-bromo-2-(methylamino)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-2-(methylamino)-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 6-bromo-1-keto-2-(methylamino)-4-phenyl-isoquinoline-3-carboxylic acid methyl ester Formula: C18H15BrN2O3 MolecularWeight: 387.2273

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Descriptors Computed from Structure

Canonical SMILES:

CNN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CNN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H15BrN2O3/c1-20-21-16(18(23)24-2)15(11-6-4-3-5-7-11)14-10-12(19)8-9-13(14)17(21)22/h3-10,20H,1-2H3