2-[5-(2-fluorophenyl)-1-(isoquinolin-1-ylmethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[5-(2-fluorophenyl)-1-(isoquinolin-1-ylmethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Openeye Name: 2-[5-(2-fluorophenyl)-1-(1-isoquinolylmethyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]isoindoline-1,3-dione CAS Name: 2-[5-(2-fluorophenyl)-1-(1-isoquinolinylmethyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione IUPAC Name: 2-[5-(2-fluorophenyl)-1-(isoquinolin-1-ylmethyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Traditional Name: 2-[5-(2-fluorophenyl)-1-(1-isoquinolylmethyl)-2-keto-3H-1,4-benzodiazepin-3-yl]isoindoline-1,3-quinone Formula: C33H21FN4O3 MolecularWeight: 540.543243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2CN3C4=CC=CC=C4C(=NC(C3=O)N5C(=O)C6=CC=CC=C6C5=O)C7=CC=CC=C7F

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2CN3C4=CC=CC=C4C(=NC(C3=O)N5C(=O)C6=CC=CC=C6C5=O)C7=CC=CC=C7F

InChI

InChI=1S/C33H21FN4O3/c34-26-15-7-5-13-24(26)29-25-14-6-8-16-28(25)37(19-27-21-10-2-1-9-20(21)17-18-35-27)33(41)30(36-29)38-31(39)22-11-3-4-12-23(22)32(38)40/h1-18,30H,19H2