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

Systemtic Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3H-isoindol-1-one Openeye Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]isoindolin-1-one CAS Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3H-isoindol-1-one IUPAC Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]-3H-isoindol-1-one Traditional Name: 2-[3-(1H-1,2-benzodiazepin-8-yl)prop-2-ynyl]isoindolin-1-one Formula: C20H15N3O MolecularWeight: 313.3526

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N1CC#CC3=CC4=C(C=CC=NN4)C=C3

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N1CC#CC3=CC4=C(C=CC=NN4)C=C3

InChI

InChI=1S/C20H15N3O/c24-20-18-8-2-1-6-17(18)14-23(20)12-4-5-15-9-10-16-7-3-11-21-22-19(16)13-15/h1-3,6-11,13,22H,12,14H2