3-azanyl-2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-4-phenyl-isoquinolin-1-one

Systemtic Name: 3-azanyl-2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-4-phenyl-isoquinolin-1-one Openeye Name: 3-amino-2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenyl-isoquinolin-1-one CAS Name: 3-amino-2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenyl-1-isoquinolinone IUPAC Name: 3-amino-2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenylisoquinolin-1-one Traditional Name: 3-amino-6-bromo-4-phenyl-2-piperonyl-isocarbostyril Formula: C23H17BrN2O3 MolecularWeight: 449.29668

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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)N

Isomeric SMILES

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

InChI

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