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

Systemtic Name: 2-[4-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoquinolin-4-ylidene]methylamino]phenyl]ethanenitrile Openeye Name: 2-[4-[[1,3-dioxo-2-(2-pyridyl)-4-isoquinolylidene]methylamino]phenyl]acetonitrile CAS Name: 2-[4-[[1,3-dioxo-2-(2-pyridinyl)-4-isoquinolinylidene]methylamino]phenyl]acetonitrile IUPAC Name: 2-[4-[(1,3-dioxo-2-pyridin-2-ylisoquinolin-4-ylidene)methylamino]phenyl]acetonitrile Traditional Name: 2-[4-[[1,3-diketo-2-(2-pyridyl)-4-isoquinolylidene]methylamino]phenyl]acetonitrile Formula: C23H16N4O2 MolecularWeight: 380.39874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16N4O2/c24-13-12-16-8-10-17(11-9-16)26-15-20-18-5-1-2-6-19(18)22(28)27(23(20)29)21-7-3-4-14-25-21/h1-11,14-15,26H,12H2