3-(1,2-diazepin-1-yl)-2-prop-2-ynyl-isoquinolin-1-one

Systemtic Name: 3-(1,2-diazepin-1-yl)-2-prop-2-ynyl-isoquinolin-1-one Openeye Name: 3-(diazepin-1-yl)-2-prop-2-ynyl-isoquinolin-1-one CAS Name: 3-(1-diazepinyl)-2-prop-2-ynyl-1-isoquinolinone IUPAC Name: 3-(diazepin-1-yl)-2-prop-2-ynylisoquinolin-1-one Traditional Name: 3-(diazepin-1-yl)-2-propargyl-isocarbostyril Formula: C17H13N3O MolecularWeight: 275.30462

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=CC2=CC=CC=C2C1=O)N3C=CC=CC=N3

Isomeric SMILES

C#CCN1C(=CC2=CC=CC=C2C1=O)N3C=CC=CC=N3

InChI

InChI=1S/C17H13N3O/c1-2-11-19-16(20-12-7-3-6-10-18-20)13-14-8-4-5-9-15(14)17(19)21/h1,3-10,12-13H,11H2