(2R)-2-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]-2-phenyl-ethanenitrile

Systemtic Name: (2R)-2-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]-2-phenyl-ethanenitrile Openeye Name: (2R)-2-[[1,3-dioxo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]-2-phenyl-acetonitrile CAS Name: (2R)-2-[[1,3-dioxo-2-(2-pyridinyl)-4H-isoquinolin-4-yl]methylideneamino]-2-phenylacetonitrile IUPAC Name: (2R)-2-[(1,3-dioxo-2-pyridin-2-yl-4H-isoquinolin-4-yl)methylideneamino]-2-phenylacetonitrile Traditional Name: (2R)-2-[[1,3-diketo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]-2-phenyl-acetonitrile Formula: C23H16N4O2 MolecularWeight: 380.39874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C#N)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C23H16N4O2/c24-14-20(16-8-2-1-3-9-16)26-15-19-17-10-4-5-11-18(17)22(28)27(23(19)29)21-12-6-7-13-25-21/h1-13,15,19-20H/t19?,20-/m0/s1