2-(4-oxidanylidene-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-3-yl)ethanenitrile

Systemtic Name: 2-(4-oxidanylidene-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-3-yl)ethanenitrile Openeye Name: 2-(4-oxo-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-3-yl)acetonitrile CAS Name: 2-(4-oxo-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-3-yl)acetonitrile IUPAC Name: 2-(4-oxo-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-3-yl)acetonitrile Traditional Name: 2-(4-keto-6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-3-yl)acetonitrile Formula: C14H12N4O MolecularWeight: 252.27128

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=CC=CC=C2C3=C1C(=O)N(C=N3)CC#N

Isomeric SMILES

C1CNC2=CC=CC=C2C3=C1C(=O)N(C=N3)CC#N

InChI

InChI=1S/C14H12N4O/c15-6-8-18-9-17-13-10-3-1-2-4-12(10)16-7-5-11(13)14(18)19/h1-4,9,16H,5,7-8H2