2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3-methoxy-3H-isoindol-1-one

Systemtic Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3-methoxy-3H-isoindol-1-one Openeye Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3-methoxy-isoindolin-1-one CAS Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3-methoxy-3H-isoindol-1-one IUPAC Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3-methoxy-3H-isoindol-1-one Traditional Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3-methoxy-isoindolin-1-one Formula: C21H17N3O2 MolecularWeight: 343.37858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C2=CC=CC=C2C(=O)N1CC#CC3=CC4=C(C=CC=NN4)C=C3

Isomeric SMILES

COC1C2=CC=CC=C2C(=O)N1CC#CC3=CC4=C(C=CC=NN4)C=C3

InChI

InChI=1S/C21H17N3O2/c1-26-21-18-9-3-2-8-17(18)20(25)24(21)13-5-6-15-10-11-16-7-4-12-22-23-19(16)14-15/h2-4,7-12,14,21,23H,13H2,1H3