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

Systemtic Name: 2-[1-(isoquinolin-1-ylmethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Openeye Name: 2-[1-(1-isoquinolylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]isoindoline-1,3-dione CAS Name: 2-[1-(1-isoquinolinylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(isoquinolin-1-ylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Traditional Name: 2-[1-(1-isoquinolylmethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]isoindoline-1,3-quinone Formula: C33H22N4O3 MolecularWeight: 522.55278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC4=NC=CC5=CC=CC=C54)N6C(=O)C7=CC=CC=C7C6=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC4=NC=CC5=CC=CC=C54)N6C(=O)C7=CC=CC=C7C6=O

InChI

InChI=1S/C33H22N4O3/c38-31-24-14-6-7-15-25(24)32(39)37(31)30-33(40)36(20-27-23-13-5-4-10-21(23)18-19-34-27)28-17-9-8-16-26(28)29(35-30)22-11-2-1-3-12-22/h1-19,30H,20H2