2-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoquinolin-4-ylidene]methylamino]-4-chloranyl-benzenecarbonitrile

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoquinolin-4-ylidene]methylamino]-4-chloranyl-benzenecarbonitrile Openeye Name: 4-chloro-2-[[1,3-dioxo-2-(2-pyridyl)-4-isoquinolylidene]methylamino]benzonitrile CAS Name: 4-chloro-2-[[1,3-dioxo-2-(2-pyridinyl)-4-isoquinolinylidene]methylamino]benzonitrile IUPAC Name: 4-chloro-2-[(1,3-dioxo-2-pyridin-2-ylisoquinolin-4-ylidene)methylamino]benzonitrile Traditional Name: 4-chloro-2-[[1,3-diketo-2-(2-pyridyl)-4-isoquinolylidene]methylamino]benzonitrile Formula: C22H13ClN4O2 MolecularWeight: 400.81722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC3=C(C=CC(=C3)Cl)C#N)C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNC3=C(C=CC(=C3)Cl)C#N)C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C22H13ClN4O2/c23-15-9-8-14(12-24)19(11-15)26-13-18-16-5-1-2-6-17(16)21(28)27(22(18)29)20-7-3-4-10-25-20/h1-11,13,26H