2-phenyl-4,4-bis(pyridin-4-ylmethyl)isoquinoline-1,3-dione

Systemtic Name: 2-phenyl-4,4-bis(pyridin-4-ylmethyl)isoquinoline-1,3-dione Openeye Name: 2-phenyl-4,4-bis(4-pyridylmethyl)isoquinoline-1,3-dione CAS Name: 2-phenyl-4,4-bis(pyridin-4-ylmethyl)isoquinoline-1,3-dione IUPAC Name: 2-phenyl-4,4-bis(pyridin-4-ylmethyl)isoquinoline-1,3-dione Traditional Name: 2-phenyl-4,4-bis(4-pyridylmethyl)isoquinoline-1,3-quinone Formula: C27H21N3O2 MolecularWeight: 419.47454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(C2=O)(CC4=CC=NC=C4)CC5=CC=NC=C5

InChI

InChI=1S/C27H21N3O2/c31-25-23-8-4-5-9-24(23)27(18-20-10-14-28-15-11-20,19-21-12-16-29-17-13-21)26(32)30(25)22-6-2-1-3-7-22/h1-17H,18-19H2