[2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]carbamic acid

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]carbamic acid Openeye Name: [2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1-oxo-4-phenyl-3-isoquinolyl]carbamic acid CAS Name: [2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1-oxo-4-phenyl-3-isoquinolinyl]carbamic acid IUPAC Name: [2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1-oxo-4-phenylisoquinolin-3-yl]carbamic acid Traditional Name: (6-bromo-1-keto-4-phenyl-2-piperonyl-3-isoquinolyl)carbamic acid Formula: C24H17BrN2O5 MolecularWeight: 493.30618

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)NC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)NC(=O)O

InChI

InChI=1S/C24H17BrN2O5/c25-16-7-8-17-18(11-16)21(15-4-2-1-3-5-15)22(26-24(29)30)27(23(17)28)12-14-6-9-19-20(10-14)32-13-31-19/h1-11,26H,12-13H2,(H,29,30)