7-bromanyl-2-(naphthalen-1-ylmethyl)-4,4-bis(pyridin-4-ylmethyl)isoquinoline-1,3-dione

Systemtic Name: 7-bromanyl-2-(naphthalen-1-ylmethyl)-4,4-bis(pyridin-4-ylmethyl)isoquinoline-1,3-dione Openeye Name: 7-bromo-2-(1-naphthylmethyl)-4,4-bis(4-pyridylmethyl)isoquinoline-1,3-dione CAS Name: 7-bromo-2-(1-naphthalenylmethyl)-4,4-bis(pyridin-4-ylmethyl)isoquinoline-1,3-dione IUPAC Name: 7-bromo-2-(naphthalen-1-ylmethyl)-4,4-bis(pyridin-4-ylmethyl)isoquinoline-1,3-dione Traditional Name: 7-bromo-2-(1-naphthylmethyl)-4,4-bis(4-pyridylmethyl)isoquinoline-1,3-quinone Formula: C32H24BrN3O2 MolecularWeight: 562.45586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C4=C(C=CC(=C4)Br)C(C3=O)(CC5=CC=NC=C5)CC6=CC=NC=C6

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C4=C(C=CC(=C4)Br)C(C3=O)(CC5=CC=NC=C5)CC6=CC=NC=C6

InChI

InChI=1S/C32H24BrN3O2/c33-26-8-9-29-28(18-26)30(37)36(21-25-6-3-5-24-4-1-2-7-27(24)25)31(38)32(29,19-22-10-14-34-15-11-22)20-23-12-16-35-17-13-23/h1-18H,19-21H2