4-[(3-oxidanylidene-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepin-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(3-oxidanylidene-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepin-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(3-oxo-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepin-2-yl)methyl]benzonitrile CAS Name: 4-[(3-oxo-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepin-2-yl)methyl]benzonitrile IUPAC Name: 4-[(3-oxo-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepin-2-yl)methyl]benzonitrile Traditional Name: 4-[(3-keto-6,7,8,9-tetrahydro-5H-pyridazin[3,4-d]azepin-2-yl)methyl]benzonitrile Formula: C16H16N4O MolecularWeight: 280.32444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC2=NN(C(=O)C=C21)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CNCCC2=NN(C(=O)C=C21)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H16N4O/c17-10-12-1-3-13(4-2-12)11-20-16(21)9-14-5-7-18-8-6-15(14)19-20/h1-4,9,18H,5-8,11H2