6-bromanyl-2-[[4-(diethylaminocarbamoyl)phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[[4-(diethylaminocarbamoyl)phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-(diethylaminocarbamoyl)phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[(2,2-diethylhydrazinyl)-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-(diethylaminocarbamoyl)phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-(diethylaminocarbamoyl)benzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C28H26BrN3O4 MolecularWeight: 548.42774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)NC(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCN(CC)NC(=O)C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H26BrN3O4/c1-3-31(4-2)30-26(33)20-12-10-18(11-13-20)17-32-25(28(35)36)24(19-8-6-5-7-9-19)23-16-21(29)14-15-22(23)27(32)34/h5-16H,3-4,17H2,1-2H3,(H,30,33)(H,35,36)