[6-bromanyl-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinolin-3-yl]carbamic acid

Systemtic Name: [6-bromanyl-1-oxidanylidene-4-phenyl-2-(phenylmethyl)isoquinolin-3-yl]carbamic acid Openeye Name: (2-benzyl-6-bromo-1-oxo-4-phenyl-3-isoquinolyl)carbamic acid CAS Name: [6-bromo-1-oxo-4-phenyl-2-(phenylmethyl)-3-isoquinolinyl]carbamic acid IUPAC Name: (2-benzyl-6-bromo-1-oxo-4-phenylisoquinolin-3-yl)carbamic acid Traditional Name: (2-benzyl-6-bromo-1-keto-4-phenyl-3-isoquinolyl)carbamic acid Formula: C23H17BrN2O3 MolecularWeight: 449.29668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrN2O3/c24-17-11-12-18-19(13-17)20(16-9-5-2-6-10-16)21(25-23(28)29)26(22(18)27)14-15-7-3-1-4-8-15/h1-13,25H,14H2,(H,28,29)