2-[4-(1H-1,2-benzodiazepin-8-yl)but-2-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(1H-1,2-benzodiazepin-8-yl)but-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-(1H-1,2-benzodiazepin-8-yl)but-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-(1H-1,2-benzodiazepin-8-yl)but-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1H-1,2-benzodiazepin-8-yl)but-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-(1H-1,2-benzodiazepin-8-yl)but-2-ynyl]isoindoline-1,3-quinone Formula: C21H15N3O2 MolecularWeight: 341.3627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC#CCC3=CC4=C(C=CC=NN4)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC#CCC3=CC4=C(C=CC=NN4)C=C3

InChI

InChI=1S/C21H15N3O2/c25-20-17-8-1-2-9-18(17)21(26)24(20)13-4-3-6-15-10-11-16-7-5-12-22-23-19(16)14-15/h1-2,5,7-12,14,23H,6,13H2