2-[2-oxidanylidene-3-[(5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]propyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-3-[(5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]propyl]isoindole-1,3-dione Openeye Name: 2-[2-oxo-3-[(5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]propyl]isoindoline-1,3-dione CAS Name: 2-[2-oxo-3-[(5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]propyl]isoindole-1,3-dione IUPAC Name: 2-[2-oxo-3-[(5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]propyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-3-[(5-phenyl-3H-1,4-benzodiazepin-2-yl)amino]propyl]isoindoline-1,3-quinone Formula: C26H20N4O3 MolecularWeight: 436.462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=CC=CC=C2C(=N1)C3=CC=CC=C3)NCC(=O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1C(=NC2=CC=CC=C2C(=N1)C3=CC=CC=C3)NCC(=O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H20N4O3/c31-18(16-30-25(32)19-10-4-5-11-20(19)26(30)33)14-27-23-15-28-24(17-8-2-1-3-9-17)21-12-6-7-13-22(21)29-23/h1-13H,14-16H2,(H,27,29)