2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]isoindoline-1,3-quinone Formula: C20H13N3O2 MolecularWeight: 327.33612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC#CC3=CC4=C(C=CC=NN4)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC#CC3=CC4=C(C=CC=NN4)C=C3

InChI

InChI=1S/C20H13N3O2/c24-19-16-7-1-2-8-17(16)20(25)23(19)12-4-5-14-9-10-15-6-3-11-21-22-18(15)13-14/h1-3,6-11,13,22H,12H2