3-azanyl-2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-4-phenyl-6H-isoquinoline-1,5-dione

Systemtic Name: 3-azanyl-2-(1,3-benzodioxol-5-ylmethyl)-6-bromanyl-4-phenyl-6H-isoquinoline-1,5-dione Openeye Name: 3-amino-2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenyl-6H-isoquinoline-1,5-dione CAS Name: 3-amino-2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenyl-6H-isoquinoline-1,5-dione IUPAC Name: 3-amino-2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-4-phenyl-6H-isoquinoline-1,5-dione Traditional Name: 3-amino-6-bromo-4-phenyl-2-piperonyl-6H-isoquinoline-1,5-quinone Formula: C23H17BrN2O4 MolecularWeight: 465.29608

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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=O)Br)C5=CC=CC=C5)N

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrN2O4/c24-16-8-7-15-20(21(16)27)19(14-4-2-1-3-5-14)22(25)26(23(15)28)11-13-6-9-17-18(10-13)30-12-29-17/h1-10,16H,11-12,25H2